CID 66216019

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

Structural Information

Molecular Formula
C9H5Cl2N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)N2C=C(N=N2)C=O
InChI
InChI=1S/C9H5Cl2N3O/c10-6-1-2-9(8(11)3-6)14-4-7(5-15)12-13-14/h1-5H
InChIKey
LCCOQKGOIDIVLG-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)triazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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]+ 241.98825 146.5
[M+Na]+ 263.97019 159.0
[M-H]- 239.97369 149.0
[M+NH4]+ 259.01479 163.1
[M+K]+ 279.94413 153.0
[M+H-H2O]+ 223.97823 138.3
[M+HCOO]- 285.97917 159.4
[M+CH3COO]- 299.99482 159.3
[M+Na-2H]- 261.95564 150.7
[M]+ 240.98042 150.4
[M]- 240.98152 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.