CID 3007559

107658-73-1

Structural Information

Molecular Formula
C17H13Cl2N3O2
SMILES
C1=CC=C(C(=C1)C(CN2C=NC=N2)(C(=O)C3=CC=C(C=C3)Cl)O)Cl
InChI
InChI=1S/C17H13Cl2N3O2/c18-13-7-5-12(6-8-13)16(23)17(24,9-22-11-20-10-21-22)14-3-1-2-4-15(14)19/h1-8,10-11,24H,9H2
InChIKey
QLCCLDYVHHUAQQ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

361.03848 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.04576 179.7
[M+Na]+ 384.02770 188.5
[M-H]- 360.03120 183.8
[M+NH4]+ 379.07230 190.0
[M+K]+ 400.00164 181.2
[M+H-H2O]+ 344.03574 169.9
[M+HCOO]- 406.03668 187.5
[M+CH3COO]- 420.05233 189.0
[M+Na-2H]- 382.01315 182.3
[M]+ 361.03793 182.6
[M]- 361.03903 182.6
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.