CID 84702177

3-(1,1-difluoroethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H7ClF2O2S
SMILES
CC(C1=CC(=CC=C1)S(=O)(=O)Cl)(F)F
InChI
InChI=1S/C8H7ClF2O2S/c1-8(10,11)6-3-2-4-7(5-6)14(9,12)13/h2-5H,1H3
InChIKey
NMHZVWQOXJYTPQ-UHFFFAOYSA-N
Compound name
3-(1,1-difluoroethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.98233 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.98961 141.5
[M+Na]+ 262.97155 152.2
[M-H]- 238.97505 143.5
[M+NH4]+ 258.01615 160.8
[M+K]+ 278.94549 147.6
[M+H-H2O]+ 222.97959 135.9
[M+HCOO]- 284.98053 152.3
[M+CH3COO]- 298.99618 185.7
[M+Na-2H]- 260.95700 146.3
[M]+ 239.98178 143.7
[M]- 239.98288 143.7
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.