CID 43811026

1118786-91-6

Structural Information

Molecular Formula
C3H4ClF3O3S
SMILES
C(CS(=O)(=O)Cl)OC(F)(F)F
InChI
InChI=1S/C3H4ClF3O3S/c4-11(8,9)2-1-10-3(5,6)7/h1-2H2
InChIKey
QAMHFLCOBQQOIE-UHFFFAOYSA-N
Compound name
2-(trifluoromethoxy)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95218 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95946 130.4
[M+Na]+ 234.94140 140.5
[M-H]- 210.94490 127.7
[M+NH4]+ 229.98600 150.4
[M+K]+ 250.91534 137.7
[M+H-H2O]+ 194.94944 124.9
[M+HCOO]- 256.95038 140.2
[M+CH3COO]- 270.96603 178.4
[M+Na-2H]- 232.92685 135.2
[M]+ 211.95163 132.5
[M]- 211.95273 132.5
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.