CID 16772627

2-hydroxy-5-methylbenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₇H₇ClO₃S

SMILES

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

InChI

InChI=1S/C7H7ClO3S/c1-5-2-3-6(9)7(4-5)12(8,10)11/h2-4,9H,1H3

InChIKey

XZKHPHOPDHZLLU-UHFFFAOYSA-N

Compound name

2-hydroxy-5-methylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 205.98044 Da
Monoisotopic Mass: 2.5
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]+	206.98772	139.7
[M+Na]+	228.96966	152.7
[M+NH4]+	224.01426	147.9
[M+K]+	244.94360	145.4
[M-H]-	204.97316	140.2
[M+Na-2H]-	226.95511	145.2
[M]+	205.97989	142.4
[M]-	205.98099	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe