CID 66619

88-50-6

Structural Information

Molecular Formula

C₆H₅Cl₂NO₃S

SMILES

C1=C(C(=CC(=C1Cl)S(=O)(=O)O)Cl)N

InChI

InChI=1S/C6H5Cl2NO3S/c7-3-2-6(13(10,11)12)4(8)1-5(3)9/h1-2H,9H2,(H,10,11,12)

InChIKey

SJCTXIKOXTUQHC-UHFFFAOYSA-N

Compound name

4-amino-2,5-dichlorobenzenesulfonic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 511
Patents: 240.93672 Da
Monoisotopic Mass: 1.2
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]+	241.94400	146.7
[M+Na]+	263.92594	159.0
[M+NH4]+	258.97054	154.3
[M+K]+	279.89988	152.0
[M-H]-	239.92944	147.1
[M+Na-2H]-	261.91139	151.3
[M]+	240.93617	149.5
[M]-	240.93727	149.5

Literature stripe

literature stripe

Patent stripe

patents stripe