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

55
Patents

189.06506 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.07234 138.6
[M+Na]+ 212.05428 147.4
[M-H]- 188.05778 138.9
[M+NH4]+ 207.09888 153.0
[M+K]+ 228.02822 143.5
[M+H-H2O]+ 172.06232 129.3
[M+HCOO]- 234.06326 158.8
[M+CH3COO]- 248.07891 150.3
[M+Na-2H]- 210.03973 144.4
[M]+ 189.06451 135.4
[M]- 189.06561 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