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
1
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]+ 279.01828 157.9
[M+Na]+ 301.00022 166.8
[M-H]- 277.00372 167.0
[M+NH4]+ 296.04482 174.5
[M+K]+ 316.97416 158.7
[M+H-H2O]+ 261.00826 154.6
[M+HCOO]- 323.00920 182.8
[M+CH3COO]- 337.02485 194.7
[M+Na-2H]- 298.98567 165.7
[M]+ 278.01045 158.0
[M]- 278.01155 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