CID 3802045

618383-38-3

Structural Information

Molecular Formula
C16H10Cl2F2N2O
SMILES
C1=CC(=CC=C1N2C=C(C(=N2)C3=CC(=C(C=C3Cl)Cl)F)CO)F
InChI
InChI=1S/C16H10Cl2F2N2O/c17-13-6-14(18)15(20)5-12(13)16-9(8-23)7-22(21-16)11-3-1-10(19)2-4-11/h1-7,23H,8H2
InChIKey
JGXVQWQSGKJROK-UHFFFAOYSA-N
Compound name
[3-(2,4-dichloro-5-fluorophenyl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.01382 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.02110 174.0
[M+Na]+ 377.00304 187.1
[M-H]- 353.00654 177.6
[M+NH4]+ 372.04764 187.3
[M+K]+ 392.97698 178.0
[M+H-H2O]+ 337.01108 164.1
[M+HCOO]- 399.01202 183.8
[M+CH3COO]- 413.02767 184.9
[M+Na-2H]- 374.98849 173.4
[M]+ 354.01327 176.4
[M]- 354.01437 176.4
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.