CID 9637

Perfluoro(methylcyclohexane)

Structural Information

Molecular Formula
C7F14
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C7F14/c8-1(7(19,20)21)2(9,10)4(13,14)6(17,18)5(15,16)3(1,11)12
InChIKey
QIROQPWSJUXOJC-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(trifluoromethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

6339
Patents

349.97763 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.984906 144.6
[M+Na]+ 372.966848 161.0
[M-H]- 348.970354 135.2
[M+NH4]+ 368.011453 168.3
[M+K]+ 388.940788 157.4
[M+H-H2O]+ 332.974890 135.1
[M+HCOO]- 394.975831 149.6
[M+CH3COO]- 408.991481 212.5
[M+Na-2H]- 370.952296 148.5
[M]+ 349.97708142 126.6
[M]- 349.97817858 126.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe