CID 2804882

4-fluoro-2-(1-methyl-1h-pyrazol-5-yl)phenol

Structural Information

Molecular Formula
C10H9FN2O
SMILES
CN1C(=CC=N1)C2=C(C=CC(=C2)F)O
InChI
InChI=1S/C10H9FN2O/c1-13-9(4-5-12-13)8-6-7(11)2-3-10(8)14/h2-6,14H,1H3
InChIKey
DLZHGRRGHBXHCO-UHFFFAOYSA-N
Compound name
4-fluoro-2-(2-methylpyrazol-3-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

192.06989 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.077166 137.5
[M+Na]+ 215.059108 148.3
[M-H]- 191.062614 140.1
[M+NH4]+ 210.103713 156.0
[M+K]+ 231.033048 144.4
[M+H-H2O]+ 175.067150 129.4
[M+HCOO]- 237.068091 159.1
[M+CH3COO]- 251.083741 180.8
[M+Na-2H]- 213.044556 142.0
[M]+ 192.06934142 136.7
[M]- 192.07043858 136.7
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