CID 4352538

618441-89-7

Structural Information

Molecular Formula
C17H14Cl2N2O
SMILES
CC1=CC(=CC=C1)N2C=C(C(=N2)C3=C(C=C(C=C3)Cl)Cl)CO
InChI
InChI=1S/C17H14Cl2N2O/c1-11-3-2-4-14(7-11)21-9-12(10-22)17(20-21)15-6-5-13(18)8-16(15)19/h2-9,22H,10H2,1H3
InChIKey
YSIHDCKMWRKFQE-UHFFFAOYSA-N
Compound name
[3-(2,4-dichlorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.0483 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.05558 175.7
[M+Na]+ 355.03752 193.6
[M+NH4]+ 350.08212 184.4
[M+K]+ 371.01146 185.5
[M-H]- 331.04102 181.0
[M+Na-2H]- 353.02297 185.4
[M]+ 332.04775 180.5
[M]- 332.04885 180.5
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.