CID 2778484

1-(2-fluoro-4-methylphenyl)ethan-1-one

Structural Information

Molecular Formula
C9H9FO
SMILES
CC1=CC(=C(C=C1)C(=O)C)F
InChI
InChI=1S/C9H9FO/c1-6-3-4-8(7(2)11)9(10)5-6/h3-5H,1-2H3
InChIKey
IBABHBXTLZNGAV-UHFFFAOYSA-N
Compound name
1-(2-fluoro-4-methylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

163
Patents

152.06374 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.071016 126.7
[M+Na]+ 175.052958 136.2
[M-H]- 151.056464 129.8
[M+NH4]+ 170.097563 148.4
[M+K]+ 191.026898 134.4
[M+H-H2O]+ 135.061000 120.9
[M+HCOO]- 197.061941 149.8
[M+CH3COO]- 211.077591 178.3
[M+Na-2H]- 173.038406 132.0
[M]+ 152.06319142 126.4
[M]- 152.06428858 126.4
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