CID 23452812

3-(difluoromethyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₅ClF₂O₂S

SMILES

C1=CC(=CC(=C1)S(=O)(=O)Cl)C(F)F

InChI

InChI=1S/C7H5ClF2O2S/c8-13(11,12)6-3-1-2-5(4-6)7(9)10/h1-4,7H

InChIKey

VPMCMNLJRWHISM-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 225.96669 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	226.97397	141.9
[M+Na]+	248.95591	152.7
[M+NH4]+	244.00051	148.9
[M+K]+	264.92985	145.7
[M-H]-	224.95941	140.0
[M+Na-2H]-	246.94136	146.7
[M]+	225.96614	143.4
[M]-	225.96724	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe