CID 2760606

74815-22-8

Structural Information

Molecular Formula
C8H6N4O
SMILES
C1=CC(=CC=C1C=O)C2=NNN=N2
InChI
InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
InChIKey
SRGPTCYCHZMFOR-UHFFFAOYSA-N
Compound name
4-(2H-tetrazol-5-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

163
Patents

174.05415 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06143 135.5
[M+Na]+ 197.04337 149.0
[M+NH4]+ 192.08797 142.2
[M+K]+ 213.01731 145.0
[M-H]- 173.04687 136.1
[M+Na-2H]- 195.02882 143.6
[M]+ 174.05360 137.3
[M]- 174.05470 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe