CID 53211662

3-fluoro-4-(3-methylphenyl)benzoic acid

Structural Information

Molecular Formula
C14H11FO2
SMILES
CC1=CC(=CC=C1)C2=C(C=C(C=C2)C(=O)O)F
InChI
InChI=1S/C14H11FO2/c1-9-3-2-4-10(7-9)12-6-5-11(14(16)17)8-13(12)15/h2-8H,1H3,(H,16,17)
InChIKey
RWEMRZDXBYIYDX-UHFFFAOYSA-N
Compound name
3-fluoro-4-(3-methylphenyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.07431 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08159 147.6
[M+Na]+ 253.06353 156.6
[M-H]- 229.06703 152.4
[M+NH4]+ 248.10813 165.1
[M+K]+ 269.03747 152.5
[M+H-H2O]+ 213.07157 140.1
[M+HCOO]- 275.07251 169.1
[M+CH3COO]- 289.08816 189.7
[M+Na-2H]- 251.04898 151.3
[M]+ 230.07376 146.5
[M]- 230.07486 146.5
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.