CID 2760606

4-(1h-1,2,3,4-tetrazol-5-yl)benzaldehyde

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

170
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 134.7
[M+Na]+ 197.04337 144.7
[M-H]- 173.04687 135.2
[M+NH4]+ 192.08797 150.3
[M+K]+ 213.01731 140.8
[M+H-H2O]+ 157.05141 125.5
[M+HCOO]- 219.05235 155.3
[M+CH3COO]- 233.06800 147.3
[M+Na-2H]- 195.02882 141.9
[M]+ 174.05360 133.7
[M]- 174.05470 133.7
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