CID 21150985

1,2,2,3,3,4,4,5,5-nonafluoro-6,6-bis(trifluoromethyl)cyclohexane-1-sulfonyl fluoride

Structural Information

Molecular Formula
C8F16O2S
SMILES
C1(C(C(C(C(C1(F)S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C8F16O2S/c9-2(10)1(7(18,19)20,8(21,22)23)6(17,27(24,25)26)5(15,16)4(13,14)3(2,11)12
InChIKey
CXVUGILROSQTJW-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5-nonafluoro-6,6-bis(trifluoromethyl)cyclohexane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.93634 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.94362 161.6
[M+Na]+ 486.92556 176.8
[M-H]- 462.92906 149.1
[M+NH4]+ 481.97016 180.3
[M+K]+ 502.89950 173.4
[M+H-H2O]+ 446.93360 152.2
[M+HCOO]- 508.93454 157.6
[M+CH3COO]- 522.95019 225.8
[M+Na-2H]- 484.91101 166.7
[M]+ 463.93579 144.4
[M]- 463.93689 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.