CID 16217493

137045-30-8

Structural Information

Molecular Formula
C13H9FO2
SMILES
C1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)F
InChI
InChI=1S/C13H9FO2/c14-12-8-10(13(15)16)6-7-11(12)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChIKey
PFKITESTTSWHMP-UHFFFAOYSA-N
Compound name
3-fluoro-4-phenylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

216.05865 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.065926 143.4
[M+Na]+ 239.047868 152.0
[M-H]- 215.051374 148.1
[M+NH4]+ 234.092473 161.2
[M+K]+ 255.021808 148.0
[M+H-H2O]+ 199.055910 136.0
[M+HCOO]- 261.056851 165.3
[M+CH3COO]- 275.072501 185.5
[M+Na-2H]- 237.033316 148.4
[M]+ 216.05810142 141.6
[M]- 216.05919858 141.6
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