CID 43561088

1-(2-fluoro-4-methoxyphenyl)-2-methylpropan-1-one

Structural Information

Molecular Formula
C11H13FO2
SMILES
CC(C)C(=O)C1=C(C=C(C=C1)OC)F
InChI
InChI=1S/C11H13FO2/c1-7(2)11(13)9-5-4-8(14-3)6-10(9)12/h4-7H,1-3H3
InChIKey
BWPPWJKAKYCADA-UHFFFAOYSA-N
Compound name
1-(2-fluoro-4-methoxyphenyl)-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.08995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09723 139.6
[M+Na]+ 219.07917 147.9
[M-H]- 195.08267 142.4
[M+NH4]+ 214.12377 159.4
[M+K]+ 235.05311 146.6
[M+H-H2O]+ 179.08721 133.2
[M+HCOO]- 241.08815 161.2
[M+CH3COO]- 255.10380 187.2
[M+Na-2H]- 217.06462 142.5
[M]+ 196.08940 140.9
[M]- 196.09050 140.9
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.