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]+ 205.07717 140.8
[M+Na]+ 227.05911 150.6
[M-H]- 203.06261 144.3
[M+NH4]+ 222.10371 159.0
[M+K]+ 243.03305 147.3
[M+H-H2O]+ 187.06715 132.1
[M+HCOO]- 249.06809 162.8
[M+CH3COO]- 263.08374 185.2
[M+Na-2H]- 225.04456 144.8
[M]+ 204.06934 140.5
[M]- 204.07044 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.