CID 17476057

1-[2-fluoro-6-(1h-pyrazol-1-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C11H9FN2O
SMILES
CC(=O)C1=C(C=CC=C1F)N2C=CC=N2
InChI
InChI=1S/C11H9FN2O/c1-8(15)11-9(12)4-2-5-10(11)14-7-3-6-13-14/h2-7H,1H3
InChIKey
UYIKTGLFDZSSID-UHFFFAOYSA-N
Compound name
1-(2-fluoro-6-pyrazol-1-ylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.06989 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.077166 140.8
[M+Na]+ 227.059108 150.6
[M-H]- 203.062614 144.3
[M+NH4]+ 222.103713 159.0
[M+K]+ 243.033048 147.3
[M+H-H2O]+ 187.067150 132.1
[M+HCOO]- 249.068091 162.8
[M+CH3COO]- 263.083741 185.2
[M+Na-2H]- 225.044556 144.8
[M]+ 204.06934142 140.5
[M]- 204.07043858 140.5
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.