CID 47093611

[1-(3-fluorophenyl)-1h-pyrazol-3-yl]methanol

Structural Information

Molecular Formula
C10H9FN2O
SMILES
C1=CC(=CC(=C1)F)N2C=CC(=N2)CO
InChI
InChI=1S/C10H9FN2O/c11-8-2-1-3-10(6-8)13-5-4-9(7-14)12-13/h1-6,14H,7H2
InChIKey
LAARDCYXCYFVLW-UHFFFAOYSA-N
Compound name
[1-(3-fluorophenyl)pyrazol-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

192.06989 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 137.6
[M+Na]+ 215.059108 147.4
[M-H]- 191.062614 139.6
[M+NH4]+ 210.103713 155.7
[M+K]+ 231.033048 143.5
[M+H-H2O]+ 175.067150 129.1
[M+HCOO]- 237.068091 159.2
[M+CH3COO]- 251.083741 179.6
[M+Na-2H]- 213.044556 142.7
[M]+ 192.06934142 136.3
[M]- 192.07043858 136.3
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

patents stripe