CID 2778602

7079-48-3

Structural Information

Molecular Formula

C₇H₆ClFO₂S

SMILES

CC1=C(C=CC(=C1)F)S(=O)(=O)Cl

InChI

InChI=1S/C7H6ClFO2S/c1-5-4-6(9)2-3-7(5)12(8,10)11/h2-4H,1H3

InChIKey

XLPGWKNCWMFHOD-UHFFFAOYSA-N

Compound name

4-fluoro-2-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 323
Patents: 207.9761 Da
Monoisotopic Mass: 2.4
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]+	208.983376	133.7
[M+Na]+	230.965318	145.4
[M-H]-	206.968824	137.4
[M+NH4]+	226.009923	154.6
[M+K]+	246.939258	141.0
[M+H-H2O]+	190.973360	129.1
[M+HCOO]-	252.974301	147.3
[M+CH3COO]-	266.989951	180.7
[M+Na-2H]-	228.950766	138.0
[M]+	207.97555142	137.6
[M]-	207.97664858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe