CID 3840468

618444-44-3

Structural Information

Molecular Formula
C17H14ClFN2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC(=C(C=C3)F)Cl
InChI
InChI=1S/C17H14ClFN2O2/c1-23-14-5-2-11(3-6-14)17-12(10-22)9-21(20-17)13-4-7-16(19)15(18)8-13/h2-9,22H,10H2,1H3
InChIKey
SDMAORRINMSYNZ-UHFFFAOYSA-N
Compound name
[1-(3-chloro-4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.07278 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.08006 173.7
[M+Na]+ 355.06200 185.0
[M-H]- 331.06550 179.2
[M+NH4]+ 350.10660 187.1
[M+K]+ 371.03594 177.7
[M+H-H2O]+ 315.07004 163.9
[M+HCOO]- 377.07098 189.6
[M+CH3COO]- 391.08663 185.1
[M+Na-2H]- 353.04745 174.6
[M]+ 332.07223 177.1
[M]- 332.07333 177.1
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.