CID 97259

19336-77-7

Structural Information

Molecular Formula
C14H10FNO3
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C14H10FNO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h1-8H,(H,16,17)(H,18,19)
InChIKey
FZGQSGHYCVVQEA-UHFFFAOYSA-N
Compound name
2-[(4-fluorophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

14
Patents

259.06448 Da
Monoisotopic Mass

2.7
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

literature stripe

Patent stripe

patents stripe