CID 43386513

4-[(2-fluorophenyl)carbamoyl]benzoic acid

Structural Information

Molecular Formula
C14H10FNO3
SMILES
C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)C(=O)O)F
InChI
InChI=1S/C14H10FNO3/c15-11-3-1-2-4-12(11)16-13(17)9-5-7-10(8-6-9)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKey
OUBBTURJIIMRNW-UHFFFAOYSA-N
Compound name
4-[(2-fluorophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.06448 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.071756 154.7
[M+Na]+ 282.053698 161.7
[M-H]- 258.057204 159.1
[M+NH4]+ 277.098303 170.1
[M+K]+ 298.027638 158.1
[M+H-H2O]+ 242.061740 146.4
[M+HCOO]- 304.062681 176.5
[M+CH3COO]- 318.078331 195.1
[M+Na-2H]- 280.039146 158.2
[M]+ 259.06393142 152.4
[M]- 259.06502858 152.4
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

patents stripe