CID 15725371

122263-78-9

Structural Information

Molecular Formula

C₈H₈ClFO₂S

SMILES

CC1=CC(=CC(=C1F)C)S(=O)(=O)Cl

InChI

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

InChIKey

YHSLPTNUIVEZSI-UHFFFAOYSA-N

Compound name

4-fluoro-3,5-dimethylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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]+	222.99904	143.9
[M+Na]+	244.98098	156.9
[M+NH4]+	240.02558	152.0
[M+K]+	260.95492	148.9
[M-H]-	220.98448	143.9
[M+Na-2H]-	242.96643	149.2
[M]+	221.99121	146.5
[M]-	221.99231	146.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe