CID 3830359

618441-68-2

Structural Information

Molecular Formula
C16H12Cl2N2O
SMILES
C1=CC(=CC(=C1)Cl)N2C=C(C(=N2)C3=CC=C(C=C3)Cl)CO
InChI
InChI=1S/C16H12Cl2N2O/c17-13-6-4-11(5-7-13)16-12(10-21)9-20(19-16)15-3-1-2-14(18)8-15/h1-9,21H,10H2
InChIKey
AJBQUPQTZZVKKP-UHFFFAOYSA-N
Compound name
[1-(3-chlorophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.03265 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.03993 171.0
[M+Na]+ 341.02187 188.8
[M+NH4]+ 336.06647 179.9
[M+K]+ 356.99581 180.7
[M-H]- 317.02537 176.3
[M+Na-2H]- 339.00732 181.2
[M]+ 318.03210 175.8
[M]- 318.03320 175.8
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.