CID 3840452

618444-39-6

Structural Information

Molecular Formula
C17H15FN2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O2/c1-22-16-8-2-12(3-9-16)17-13(11-21)10-20(19-17)15-6-4-14(18)5-7-15/h2-10,21H,11H2,1H3
InChIKey
AJGJMNNLMWNXHR-UHFFFAOYSA-N
Compound name
[1-(4-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]+ 299.119036 167.2
[M+Na]+ 321.100978 176.8
[M-H]- 297.104484 172.6
[M+NH4]+ 316.145583 180.9
[M+K]+ 337.074918 171.1
[M+H-H2O]+ 281.109020 156.9
[M+HCOO]- 343.109961 187.8
[M+CH3COO]- 357.125611 178.7
[M+Na-2H]- 319.086426 169.3
[M]+ 298.11121142 168.0
[M]- 298.11230858 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.