CID 7016174

92712-51-1

Structural Information

Molecular Formula
C8H7N5O
SMILES
C1=CC(=CC=C1C2=NNN=N2)C(=O)N
InChI
InChI=1S/C8H7N5O/c9-7(14)5-1-3-6(4-2-5)8-10-12-13-11-8/h1-4H,(H2,9,14)(H,10,11,12,13)
InChIKey
YJKFNKRQUHQHEC-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

189.06506 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.072336 138.6
[M+Na]+ 212.054278 147.4
[M-H]- 188.057784 138.9
[M+NH4]+ 207.098883 153.0
[M+K]+ 228.028218 143.5
[M+H-H2O]+ 172.062320 129.3
[M+HCOO]- 234.063261 158.8
[M+CH3COO]- 248.078911 150.3
[M+Na-2H]- 210.039726 144.4
[M]+ 189.06451142 135.4
[M]- 189.06560858 135.4
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