PubChemLite - Perfluorotetradecane (C14F30)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14F30/c15-1(16,3(19,20)5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)41)2(17,18)4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(42,43)44

InChIKey

HYZQZWDYBKVIRI-UHFFFAOYSA-N

Compound name

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

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]+	738.95938	199.7
[M+Na]+	760.94132	202.7
[M-H]-	736.94482	210.7
[M+NH4]+	755.98592	211.1
[M+K]+	776.91526	217.4
[M+H-H2O]+	720.94936	186.8
[M+HCOO]-	782.95030	216.7
[M+CH3COO]-	796.96595	264.6
[M+Na-2H]-	758.92677	203.0
[M]+	737.95155	196.8
[M]-	737.95265	196.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

738.95938

199.7

[M+Na]+

760.94132

202.7

[M-H]-

736.94482

210.7

[M+NH4]+

755.98592

211.1

[M+K]+

776.91526

217.4

[M+H-H2O]+

720.94936

186.8

[M+HCOO]-

782.95030

216.7

[M+CH3COO]-

796.96595

264.6

[M+Na-2H]-

758.92677

203.0

[M]+

737.95155

196.8

[M]-

737.95265

196.8

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

Perfluorotetradecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe