CID 66214608

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

Structural Information

Molecular Formula
C9H5ClFN3O
SMILES
C1=CC(=C(C=C1F)Cl)N2C=C(N=N2)C=O
InChI
InChI=1S/C9H5ClFN3O/c10-8-3-6(11)1-2-9(8)14-4-7(5-15)12-13-14/h1-5H
InChIKey
JVDHJIKMBSAUFG-UHFFFAOYSA-N
Compound name
1-(2-chloro-4-fluorophenyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.01051 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.01779 142.2
[M+Na]+ 247.99973 154.6
[M-H]- 224.00323 144.3
[M+NH4]+ 243.04433 159.2
[M+K]+ 263.97367 149.4
[M+H-H2O]+ 208.00777 133.1
[M+HCOO]- 270.00871 159.5
[M+CH3COO]- 284.02436 155.5
[M+Na-2H]- 245.98518 146.9
[M]+ 225.00996 144.4
[M]- 225.01106 144.4
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.