CID 15540

2-nitrobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₄ClNO₄S

SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)Cl

InChI

InChI=1S/C6H4ClNO4S/c7-13(11,12)6-4-2-1-3-5(6)8(9)10/h1-4H

InChIKey

WPHUUIODWRNJLO-UHFFFAOYSA-N

Compound name

2-nitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 33
References: 8489
Patents: 220.95496 Da
Monoisotopic Mass: 1.8
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]+	221.96224	137.7
[M+Na]+	243.94418	151.0
[M+NH4]+	238.98878	145.7
[M+K]+	259.91812	146.6
[M-H]-	219.94768	139.6
[M+Na-2H]-	241.92963	143.8
[M]+	220.95441	140.7
[M]-	220.95551	140.7

Literature stripe

literature stripe

Patent stripe

patents stripe