CID 79692372

Methyl 2-(3-fluoro-5-methylphenyl)propanoate

Structural Information

Molecular Formula
C11H13FO2
SMILES
CC1=CC(=CC(=C1)F)C(C)C(=O)OC
InChI
InChI=1S/C11H13FO2/c1-7-4-9(6-10(12)5-7)8(2)11(13)14-3/h4-6,8H,1-3H3
InChIKey
QQQRZMQRASMLRI-UHFFFAOYSA-N
Compound name
methyl 2-(3-fluoro-5-methylphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.08995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 139.8
[M+Na]+ 219.079168 148.2
[M-H]- 195.082674 142.7
[M+NH4]+ 214.123773 159.7
[M+K]+ 235.053108 146.8
[M+H-H2O]+ 179.087210 133.5
[M+HCOO]- 241.088151 161.4
[M+CH3COO]- 255.103801 186.6
[M+Na-2H]- 217.064616 142.6
[M]+ 196.08940142 141.0
[M]- 196.09049858 141.0
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.