CID 12694849

3-(chlorosulfonyl)-4-hydroxybenzoic acid

Structural Information

Molecular Formula

C₇H₅ClO₅S

SMILES

C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)O

InChI

InChI=1S/C7H5ClO5S/c8-14(12,13)6-3-4(7(10)11)1-2-5(6)9/h1-3,9H,(H,10,11)

InChIKey

UKNHBVJEQDQGIH-UHFFFAOYSA-N

Compound name

3-chlorosulfonyl-4-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 235.95462 Da
Monoisotopic Mass: 1.7
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]+	236.96190	144.8
[M+Na]+	258.94384	155.9
[M+NH4]+	253.98844	151.0
[M+K]+	274.91778	150.8
[M-H]-	234.94734	143.3
[M+Na-2H]-	256.92929	148.5
[M]+	235.95407	146.4
[M]-	235.95517	146.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe