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

45
Patents

192.06989 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.07717 137.5
[M+Na]+ 215.05911 148.3
[M-H]- 191.06261 140.1
[M+NH4]+ 210.10371 156.0
[M+K]+ 231.03305 144.4
[M+H-H2O]+ 175.06715 129.4
[M+HCOO]- 237.06809 159.1
[M+CH3COO]- 251.08374 180.8
[M+Na-2H]- 213.04456 142.0
[M]+ 192.06934 136.7
[M]- 192.07044 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