CID 84702176

1782813-28-8

Structural Information

Molecular Formula
C8H7ClF2O2S
SMILES
CC(C1=CC=CC=C1S(=O)(=O)Cl)(F)F
InChI
InChI=1S/C8H7ClF2O2S/c1-8(10,11)6-4-2-3-5-7(6)14(9,12)13/h2-5H,1H3
InChIKey
YTAASPNHFRBFRN-UHFFFAOYSA-N
Compound name
2-(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]+ 240.989606 141.5
[M+Na]+ 262.971548 152.2
[M-H]- 238.975054 143.5
[M+NH4]+ 258.016153 160.8
[M+K]+ 278.945488 147.6
[M+H-H2O]+ 222.979590 135.9
[M+HCOO]- 284.980531 152.3
[M+CH3COO]- 298.996181 185.7
[M+Na-2H]- 260.956996 146.3
[M]+ 239.98178142 143.7
[M]- 239.98287858 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.