CID 14872473

1-phenyl-1h-1,2,3-triazole-5-carbaldehyde

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC=C(C=C1)N2C(=CN=N2)C=O
InChI
InChI=1S/C9H7N3O/c13-7-9-6-10-11-12(9)8-4-2-1-3-5-8/h1-7H
InChIKey
FKFQSZNUUBKDNS-UHFFFAOYSA-N
Compound name
3-phenyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.05891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.06619 133.7
[M+Na]+ 196.04813 143.7
[M-H]- 172.05163 136.9
[M+NH4]+ 191.09273 151.5
[M+K]+ 212.02207 140.7
[M+H-H2O]+ 156.05617 125.0
[M+HCOO]- 218.05711 157.0
[M+CH3COO]- 232.07276 147.4
[M+Na-2H]- 194.03358 141.1
[M]+ 173.05836 134.4
[M]- 173.05946 134.4
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

No patent data available for this compound.