CID 73994686

1,1,1-trifluoropropane-2-sulfonyl chloride

Structural Information

Molecular Formula
C3H4ClF3O2S
SMILES
CC(C(F)(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C3H4ClF3O2S/c1-2(3(5,6)7)10(4,8)9/h2H,1H3
InChIKey
NUUBIXUITNNERY-UHFFFAOYSA-N
Compound name
1,1,1-trifluoropropane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

195.95726 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.96454 126.3
[M+Na]+ 218.94648 136.4
[M-H]- 194.94998 123.8
[M+NH4]+ 213.99108 147.0
[M+K]+ 234.92042 133.6
[M+H-H2O]+ 178.95452 121.2
[M+HCOO]- 240.95546 134.9
[M+CH3COO]- 254.97111 177.3
[M+Na-2H]- 216.93193 130.0
[M]+ 195.95671 126.4
[M]- 195.95781 126.4
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