CID 155819592

2470435-39-1

Structural Information

Molecular Formula
C3H2ClF5O3S
SMILES
C(C(F)(F)Cl)OS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C3H2ClF5O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2
InChIKey
IUKOAQPJRGWEPU-UHFFFAOYSA-N
Compound name
(2-chloro-2,2-difluoroethyl) trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.93333 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.94061 134.2
[M+Na]+ 270.92255 144.6
[M-H]- 246.92605 129.1
[M+NH4]+ 265.96715 152.5
[M+K]+ 286.89649 141.5
[M+H-H2O]+ 230.93059 127.3
[M+HCOO]- 292.93153 140.5
[M+CH3COO]- 306.94718 184.7
[M+Na-2H]- 268.90800 139.1
[M]+ 247.93278 133.1
[M]- 247.93388 133.1
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.