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

184
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.