PubChemLite - 1-tetradecanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluoro- (C14H3F27O)

Structural Information

Molecular Formula

SMILES

C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O

InChI

InChI=1S/C14H3F27O/c15-2(16,1-42)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h42H,1H2

InChIKey

WYCXYEWKMLSDBQ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecan-1-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	700.98258	193.5
[M+Na]+	722.96452	195.9
[M-H]-	698.96802	204.1
[M+NH4]+	718.00912	203.9
[M+K]+	738.93846	210.4
[M+H-H2O]+	682.97256	179.5
[M+HCOO]-	744.97350	210.3
[M+CH3COO]-	758.98915	260.9
[M+Na-2H]-	720.94997	195.2
[M]+	699.97475	191.1
[M]-	699.97585	191.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

700.98258

193.5

[M+Na]+

722.96452

195.9

[M-H]-

698.96802

204.1

[M+NH4]+

718.00912

203.9

[M+K]+

738.93846

210.4

[M+H-H2O]+

682.97256

179.5

[M+HCOO]-

744.97350

210.3

[M+CH3COO]-

758.98915

260.9

[M+Na-2H]-

720.94997

195.2

[M]+

699.97475

191.1

[M]-

699.97585

191.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-tetradecanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluoro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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