CID 5082742

Benzamide, 4-nitro-n-(1h-tetrazol-5-yl)-

Structural Information

Molecular Formula
C8H6N6O3
SMILES
C1=CC(=CC=C1C(=O)NC2=NNN=N2)[N+](=O)[O-]
InChI
InChI=1S/C8H6N6O3/c15-7(9-8-10-12-13-11-8)5-1-3-6(4-2-5)14(16)17/h1-4H,(H2,9,10,11,12,13,15)
InChIKey
ODLUTVBIDGJWAA-UHFFFAOYSA-N
Compound name
4-nitro-N-(2H-tetrazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05014 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05742 143.4
[M+Na]+ 257.03936 150.2
[M-H]- 233.04286 144.6
[M+NH4]+ 252.08396 155.1
[M+K]+ 273.01330 143.1
[M+H-H2O]+ 217.04740 138.2
[M+HCOO]- 279.04834 165.3
[M+CH3COO]- 293.06399 181.1
[M+Na-2H]- 255.02481 153.0
[M]+ 234.04959 139.3
[M]- 234.05069 139.3
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