CID 101962526

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

Structural Information

Molecular Formula
C10H11FO
SMILES
CC1=CC=C(C=C1)C(=O)C(C)F
InChI
InChI=1S/C10H11FO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,1-2H3
InChIKey
KSYCKOAKHHRLMT-UHFFFAOYSA-N
Compound name
2-fluoro-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07939 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.086666 132.5
[M+Na]+ 189.068608 140.3
[M-H]- 165.072114 135.1
[M+NH4]+ 184.113213 153.2
[M+K]+ 205.042548 138.6
[M+H-H2O]+ 149.076650 126.3
[M+HCOO]- 211.077591 154.2
[M+CH3COO]- 225.093241 181.1
[M+Na-2H]- 187.054056 136.6
[M]+ 166.07884142 131.5
[M]- 166.07993858 131.5
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

No patent data available for this compound.