CID 2375931

2-{[(2-fluorophenyl)carbamoyl]methoxy}benzoic acid

Structural Information

Molecular Formula
C15H12FNO4
SMILES
C1=CC=C(C(=C1)C(=O)O)OCC(=O)NC2=CC=CC=C2F
InChI
InChI=1S/C15H12FNO4/c16-11-6-2-3-7-12(11)17-14(18)9-21-13-8-4-1-5-10(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey
DIAPZYQWCZGAOV-UHFFFAOYSA-N
Compound name
2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.07504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.08232 162.2
[M+Na]+ 312.06426 168.6
[M-H]- 288.06776 166.4
[M+NH4]+ 307.10886 176.2
[M+K]+ 328.03820 165.4
[M+H-H2O]+ 272.07230 153.4
[M+HCOO]- 334.07324 183.9
[M+CH3COO]- 348.08889 200.3
[M+Na-2H]- 310.04971 165.2
[M]+ 289.07449 161.7
[M]- 289.07559 161.7
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

No patent data available for this compound.