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

1959
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

literature stripe

Patent stripe

patents stripe