CID 11206299

1-(4-fluorophenyl)-1h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula
C9H6FN3O
SMILES
C1=CC(=CC=C1N2C=C(N=N2)C=O)F
InChI
InChI=1S/C9H6FN3O/c10-7-1-3-9(4-2-7)13-5-8(6-14)11-12-13/h1-6H
InChIKey
VDZWNFKDNJZMGG-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

191.04948 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.056756 136.1
[M+Na]+ 214.038698 147.1
[M-H]- 190.042204 138.3
[M+NH4]+ 209.083303 153.5
[M+K]+ 230.012638 143.5
[M+H-H2O]+ 174.046740 126.7
[M+HCOO]- 236.047681 158.3
[M+CH3COO]- 250.063331 181.3
[M+Na-2H]- 212.024146 142.1
[M]+ 191.04893142 136.2
[M]- 191.05002858 136.2
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