CID 12581955

Methyl 5-(chlorosulfonyl)-2-hydroxybenzoate

Structural Information

Molecular Formula

C₈H₇ClO₅S

SMILES

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

InChI

InChI=1S/C8H7ClO5S/c1-14-8(11)6-4-5(15(9,12)13)2-3-7(6)10/h2-4,10H,1H3

InChIKey

JCUQSWVHGVRETC-UHFFFAOYSA-N

Compound name

methyl 5-chlorosulfonyl-2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 249.97028 Da
Monoisotopic Mass: 2.3
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]+	250.97756	149.0
[M+Na]+	272.95950	160.5
[M+NH4]+	268.00410	155.5
[M+K]+	288.93344	154.8
[M-H]-	248.96300	148.0
[M+Na-2H]-	270.94495	153.1
[M]+	249.96973	150.9
[M]-	249.97083	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe