CID 55279816

2-(difluoromethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H5ClF2O2S
SMILES
C1=CC=C(C(=C1)C(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C7H5ClF2O2S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4,7H
InChIKey
HOHYZHBHYKDMAT-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)benzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

225.96669 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.973966 135.8
[M+Na]+ 248.955908 146.3
[M-H]- 224.959414 137.7
[M+NH4]+ 244.000513 155.5
[M+K]+ 264.929848 141.9
[M+H-H2O]+ 208.963950 130.0
[M+HCOO]- 270.964891 147.4
[M+CH3COO]- 284.980541 183.1
[M+Na-2H]- 246.941356 139.2
[M]+ 225.96614142 137.6
[M]- 225.96723858 137.6
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