Perfluorodecahydro-1-isobutylnaphthalene (C14F26)

Structural Information

Molecular Formula

SMILES

C12(C(C(C(C(C1(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)F)(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(F)F)(F)F)(F)F)F)F

InChI

InChI=1S/C14F26/c15-1-2(16,5(19,20)4(18,13(35,36)37)14(38,39)40)7(23,24)10(29,30)8(25,26)3(1,17)9(27,28)12(33,34)11(31,32)6(1,21)22

InChIKey

ZQMSTIVEUWHCPI-UHFFFAOYSA-N

Compound name

1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8a-heptadecafluoro-8-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]naphthalene

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]+	662.965776	206.6
[M+Na]+	684.947718	225.7
[M-H]-	660.951224	193.3
[M+NH4]+	679.992323	223.0
[M+K]+	700.921658	221.0
[M+H-H2O]+	644.955760	195.2
[M+HCOO]-	706.956701	196.3
[M+CH3COO]-	720.972351	256.8
[M+Na-2H]-	682.933166	208.4
[M]+	661.95795142	179.2
[M]-	661.95904858	179.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

662.965776

206.6

[M+Na]+

684.947718

225.7

[M-H]-

660.951224

193.3

[M+NH4]+

679.992323

223.0

[M+K]+

700.921658

221.0

[M+H-H2O]+

644.955760

195.2

[M+HCOO]-

706.956701

196.3

[M+CH3COO]-

720.972351

256.8

[M+Na-2H]-

682.933166

208.4

[M]+

661.95795142

179.2

[M]-

661.95904858

179.2

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

Perfluorodecahydro-1-isobutylnaphthalene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe