CID 46737683

1017779-56-4

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC1=CC(=CC(=C1)F)CCC(=O)O
InChI
InChI=1S/C10H11FO2/c1-7-4-8(2-3-10(12)13)6-9(11)5-7/h4-6H,2-3H2,1H3,(H,12,13)
InChIKey
SEUXGGXOPIWHGW-UHFFFAOYSA-N
Compound name
3-(3-fluoro-5-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

182.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 135.8
[M+Na]+ 205.06353 144.3
[M-H]- 181.06703 137.3
[M+NH4]+ 200.10813 155.5
[M+K]+ 221.03747 141.8
[M+H-H2O]+ 165.07157 129.7
[M+HCOO]- 227.07251 157.2
[M+CH3COO]- 241.08816 180.7
[M+Na-2H]- 203.04898 139.9
[M]+ 182.07376 135.4
[M]- 182.07486 135.4
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

No patent data available for this compound.