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]+ 260.07176 154.7
[M+Na]+ 282.05370 161.7
[M-H]- 258.05720 159.1
[M+NH4]+ 277.09830 170.1
[M+K]+ 298.02764 158.1
[M+H-H2O]+ 242.06174 146.4
[M+HCOO]- 304.06268 176.5
[M+CH3COO]- 318.07833 195.1
[M+Na-2H]- 280.03915 158.2
[M]+ 259.06393 152.4
[M]- 259.06503 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