CID 2761177

3,3,3-trifluoropropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H4ClF3O2S
SMILES
C(CS(=O)(=O)Cl)C(F)(F)F
InChI
InChI=1S/C3H4ClF3O2S/c4-10(8,9)2-1-3(5,6)7/h1-2H2
InChIKey
OXKHPRFGCFJUSK-UHFFFAOYSA-N
Compound name
3,3,3-trifluoropropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

715
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 127.4
[M+Na]+ 218.94648 137.7
[M-H]- 194.94998 124.8
[M+NH4]+ 213.99108 148.2
[M+K]+ 234.92042 134.4
[M+H-H2O]+ 178.95452 122.1
[M+HCOO]- 240.95546 137.0
[M+CH3COO]- 254.97111 176.5
[M+Na-2H]- 216.93193 132.0
[M]+ 195.95671 128.0
[M]- 195.95781 128.0
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