CID 3007578

107658-93-5

Structural Information

Molecular Formula
C17H12Cl2FN3O2
SMILES
C1=CC(=CC=C1C(CN2C=NC=N2)(C(=O)C3=C(C=C(C=C3)Cl)Cl)O)F
InChI
InChI=1S/C17H12Cl2FN3O2/c18-12-3-6-14(15(19)7-12)16(24)17(25,8-23-10-21-9-22-23)11-1-4-13(20)5-2-11/h1-7,9-10,25H,8H2
InChIKey
IJYGNBNBMXUQHJ-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

379.02905 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.03633 181.7
[M+Na]+ 402.01827 191.4
[M-H]- 378.02177 184.8
[M+NH4]+ 397.06287 191.5
[M+K]+ 417.99221 183.7
[M+H-H2O]+ 362.02631 171.2
[M+HCOO]- 424.02725 188.5
[M+CH3COO]- 438.04290 190.8
[M+Na-2H]- 400.00372 183.1
[M]+ 379.02850 184.1
[M]- 379.02960 184.1
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.