CID 84716475

2-fluoro-1-(2-methylphenyl)ethan-1-one

Structural Information

Molecular Formula
C9H9FO
SMILES
CC1=CC=CC=C1C(=O)CF
InChI
InChI=1S/C9H9FO/c1-7-4-2-3-5-8(7)9(11)6-10/h2-5H,6H2,1H3
InChIKey
ZIDOLHKEJXCTQH-UHFFFAOYSA-N
Compound name
2-fluoro-1-(2-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

152.06374 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.07102 127.8
[M+Na]+ 175.05296 136.2
[M-H]- 151.05646 130.5
[M+NH4]+ 170.09756 149.1
[M+K]+ 191.02690 134.4
[M+H-H2O]+ 135.06100 121.6
[M+HCOO]- 197.06194 150.8
[M+CH3COO]- 211.07759 177.2
[M+Na-2H]- 173.03841 133.6
[M]+ 152.06319 127.1
[M]- 152.06429 127.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe