CID 5195687

618383-28-1

Structural Information

Molecular Formula
C16H11Cl2FN2O
SMILES
C1=CC(=CC=C1C2=NN(C=C2CO)C3=CC(=C(C=C3)F)Cl)Cl
InChI
InChI=1S/C16H11Cl2FN2O/c17-12-3-1-10(2-4-12)16-11(9-22)8-21(20-16)13-5-6-15(19)14(18)7-13/h1-8,22H,9H2
InChIKey
JXAPAAVDZYMOGJ-UHFFFAOYSA-N
Compound name
[1-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.02325 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.03053 172.0
[M+Na]+ 359.01247 184.1
[M-H]- 335.01597 176.6
[M+NH4]+ 354.05707 185.8
[M+K]+ 374.98641 175.4
[M+H-H2O]+ 319.02051 162.7
[M+HCOO]- 381.02145 182.8
[M+CH3COO]- 395.03710 183.1
[M+Na-2H]- 356.99792 172.5
[M]+ 336.02270 174.8
[M]- 336.02380 174.8
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.