CID 135599794

72927-79-8

Structural Information

Molecular Formula
C12H10ClN5O6S
SMILES
C1=C(C=C(C(=C1N=NC2=CC(=C(C=C2N)N)Cl)O)S(=O)(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C12H10ClN5O6S/c13-6-3-9(8(15)4-7(6)14)16-17-10-1-5(18(20)21)2-11(12(10)19)25(22,23)24/h1-4,19H,14-15H2,(H,22,23,24)
InChIKey
OZEKWQDGADHXSV-UHFFFAOYSA-N
Compound name
3-[(2,4-diamino-5-chlorophenyl)diazenyl]-2-hydroxy-5-nitrobenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

387.00403 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.01131 177.9
[M+Na]+ 409.99325 184.7
[M-H]- 385.99675 184.4
[M+NH4]+ 405.03785 187.8
[M+K]+ 425.96719 175.9
[M+H-H2O]+ 370.00129 175.0
[M+HCOO]- 432.00223 195.7
[M+CH3COO]- 446.01788 217.0
[M+Na-2H]- 407.97870 183.9
[M]+ 387.00348 178.6
[M]- 387.00458 178.6
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.