CID 88624

2-amino-5-nitrobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₅ClN₂O₄S

SMILES

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

InChI

InChI=1S/C6H5ClN2O4S/c7-14(12,13)6-3-4(9(10)11)1-2-5(6)8/h1-3H,8H2

InChIKey

GIYARLIXINTLTK-UHFFFAOYSA-N

Compound name

2-amino-5-nitrobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 235.96585 Da
Monoisotopic Mass: 1.6
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]+	236.97313	141.3
[M+Na]+	258.95507	153.3
[M+NH4]+	253.99967	148.6
[M+K]+	274.92901	149.8
[M-H]-	234.95857	143.2
[M+Na-2H]-	256.94052	146.5
[M]+	235.96530	144.0
[M]-	235.96640	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe