CID 14292219

118334-94-4

Structural Information

Molecular Formula
C7H4F12O3S
SMILES
CC(C(F)(F)F)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H4F12O3S/c1-2(3(8,9)10)22-23(20,21)7(18,19)5(13,14)4(11,12)6(15,16)17/h2H,1H3
InChIKey
ZYIBENCKBXFJSL-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropropan-2-yl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

64
Patents

395.96896 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.97624 166.0
[M+Na]+ 418.95818 174.7
[M-H]- 394.96168 152.7
[M+NH4]+ 414.00278 162.9
[M+K]+ 434.93212 172.2
[M+H-H2O]+ 378.96622 152.8
[M+HCOO]- 440.96716 174.5
[M+CH3COO]- 454.98281 215.1
[M+Na-2H]- 416.94363 168.3
[M]+ 395.96841 151.6
[M]- 395.96951 151.6
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