CID 74242

2,2,2-trifluoroethanesulfonyl chloride

Structural Information

Molecular Formula
C2H2ClF3O2S
SMILES
C(C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C2H2ClF3O2S/c3-9(7,8)1-2(4,5)6/h1H2
InChIKey
CXCHEKCRJQRVNG-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

32
References

6860
Patents

181.94162 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.94890 135.3
[M+Na]+ 204.93084 142.5
[M+NH4]+ 199.97544 140.5
[M+K]+ 220.90478 137.4
[M-H]- 180.93434 129.0
[M+Na-2H]- 202.91629 136.4
[M]+ 181.94107 134.8
[M]- 181.94217 134.8
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