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

1
Patents

196.08995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 139.6
[M+Na]+ 219.079168 147.9
[M-H]- 195.082674 142.4
[M+NH4]+ 214.123773 159.4
[M+K]+ 235.053108 146.6
[M+H-H2O]+ 179.087210 133.2
[M+HCOO]- 241.088151 161.2
[M+CH3COO]- 255.103801 187.2
[M+Na-2H]- 217.064616 142.5
[M]+ 196.08940142 140.9
[M]- 196.09049858 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

patents stripe