CID 3840017

(1-(2-fluorophenyl)-3-(4-methoxyphenyl)-1h-pyrazol-4-yl)methanol

Structural Information

Molecular Formula
C17H15FN2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3F
InChI
InChI=1S/C17H15FN2O2/c1-22-14-8-6-12(7-9-14)17-13(11-21)10-20(19-17)16-5-3-2-4-15(16)18/h2-10,21H,11H2,1H3
InChIKey
XKMVFOQGRBADKI-UHFFFAOYSA-N
Compound name
[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11176 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11904 167.2
[M+Na]+ 321.10098 176.8
[M-H]- 297.10448 172.6
[M+NH4]+ 316.14558 180.9
[M+K]+ 337.07492 171.1
[M+H-H2O]+ 281.10902 156.9
[M+HCOO]- 343.10996 187.8
[M+CH3COO]- 357.12561 178.7
[M+Na-2H]- 319.08643 169.3
[M]+ 298.11121 168.0
[M]- 298.11231 168.0
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.