CID 5743648

76464-67-0

Structural Information

Molecular Formula
C10H6N4O4S
SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)S(=O)(=O)N=[N+]=[N-]
InChI
InChI=1S/C10H6N4O4S/c11-12-13-19(17,18)8-3-1-7(2-4-8)14-9(15)5-6-10(14)16/h1-6H
InChIKey
YMAGPUHECDCODP-UHFFFAOYSA-N
Compound name
N-diazo-4-(2,5-dioxopyrrol-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

93
Patents

278.011 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.018276 157.9
[M+Na]+ 301.000218 166.8
[M-H]- 277.003724 167.0
[M+NH4]+ 296.044823 174.5
[M+K]+ 316.974158 158.7
[M+H-H2O]+ 261.008260 154.6
[M+HCOO]- 323.009201 182.8
[M+CH3COO]- 337.024851 194.7
[M+Na-2H]- 298.985666 165.7
[M]+ 278.01045142 158.0
[M]- 278.01154858 158.0
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

patents stripe