CID 67725

Undecafluorocyclohexanesulfonyl fluoride

Structural Information

Molecular Formula
C6F12O2S
SMILES
C1(C(C(C(C(C1(F)F)(F)F)(F)S(=O)(=O)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C6F12O2S/c7-1(8)2(9,10)4(13,14)6(17,21(18,19)20)5(15,16)3(1,11)12
InChIKey
SUYQQGZHVVTMNY-UHFFFAOYSA-N
Compound name
1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

16
Patents

363.94275 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.95003 137.2
[M+Na]+ 386.93197 152.7
[M-H]- 362.93547 128.6
[M+NH4]+ 381.97657 160.6
[M+K]+ 402.90591 149.6
[M+H-H2O]+ 346.94001 129.6
[M+HCOO]- 408.94095 140.1
[M+CH3COO]- 422.95660 210.1
[M+Na-2H]- 384.91742 143.0
[M]+ 363.94220 126.0
[M]- 363.94330 126.0
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

patents stripe