CID 67136

121-30-2

Structural Information

Molecular Formula
C6H8ClN3O4S2
SMILES
C1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)N
InChI
InChI=1S/C6H8ClN3O4S2/c7-3-1-4(8)6(16(10,13)14)2-5(3)15(9,11)12/h1-2H,8H2,(H2,9,11,12)(H2,10,13,14)
InChIKey
IHJCXVZDYSXXFT-UHFFFAOYSA-N
Compound name
4-amino-6-chlorobenzene-1,3-disulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

71
References

2131
Patents

284.96448 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97176 155.5
[M+Na]+ 307.95370 164.6
[M-H]- 283.95720 158.0
[M+NH4]+ 302.99830 170.7
[M+K]+ 323.92764 157.9
[M+H-H2O]+ 267.96174 150.6
[M+HCOO]- 329.96268 164.3
[M+CH3COO]- 343.97833 197.7
[M+Na-2H]- 305.93915 158.2
[M]+ 284.96393 156.0
[M]- 284.96503 156.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.