CID 244830

2-phenyl-2h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H7N3O
SMILES
C1=CC=C(C=C1)N2N=CC(=N2)C=O
InChI
InChI=1S/C9H7N3O/c13-7-8-6-10-12(11-8)9-4-2-1-3-5-9/h1-7H
InChIKey
VZJJIEBMUWCKJY-UHFFFAOYSA-N
Compound name
2-phenyltriazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

85
Patents

173.05891 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.066186 133.7
[M+Na]+ 196.048128 143.7
[M-H]- 172.051634 136.9
[M+NH4]+ 191.092733 151.5
[M+K]+ 212.022068 140.7
[M+H-H2O]+ 156.056170 125.0
[M+HCOO]- 218.057111 157.0
[M+CH3COO]- 232.072761 147.4
[M+Na-2H]- 194.033576 141.1
[M]+ 173.05836142 134.4
[M]- 173.05945858 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

literature stripe

Patent stripe

patents stripe