CID 55279548

88972-03-6

Structural Information

Molecular Formula

C₈H₈ClFO₂S

SMILES

CC1=CC(=CC(=C1S(=O)(=O)Cl)C)F

InChI

InChI=1S/C8H8ClFO2S/c1-5-3-7(10)4-6(2)8(5)13(9,11)12/h3-4H,1-2H3

InChIKey

RVCGNZNOJBRAGG-UHFFFAOYSA-N

Compound name

4-fluoro-2,6-dimethylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 221.99176 Da
Monoisotopic Mass: 2.8
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]+	222.999036	137.3
[M+Na]+	244.980978	149.4
[M-H]-	220.984484	141.2
[M+NH4]+	240.025583	158.0
[M+K]+	260.954918	144.8
[M+H-H2O]+	204.989020	132.8
[M+HCOO]-	266.989961	150.6
[M+CH3COO]-	281.005611	184.8
[M+Na-2H]-	242.966426	140.6
[M]+	221.99121142	142.0
[M]-	221.99230858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe