CID 53474273

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

Structural Information

Molecular Formula
C9H5Cl2N3O
SMILES
C1=CC(=C(C=C1N2C=C(N=N2)C=O)Cl)Cl
InChI
InChI=1S/C9H5Cl2N3O/c10-8-2-1-7(3-9(8)11)14-4-6(5-15)12-13-14/h1-5H
InChIKey
CDVNHFMDFXOJIM-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.98097 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.988246 146.5
[M+Na]+ 263.970188 159.0
[M-H]- 239.973694 149.0
[M+NH4]+ 259.014793 163.1
[M+K]+ 279.944128 153.0
[M+H-H2O]+ 223.978230 138.3
[M+HCOO]- 285.979171 159.4
[M+CH3COO]- 299.994821 159.3
[M+Na-2H]- 261.955636 150.7
[M]+ 240.98042142 150.4
[M]- 240.98151858 150.4
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

No patent data available for this compound.