CID 900817

4-{[(4-fluorophenyl)carbamoyl]methoxy}-3-methoxybenzoic acid

Structural Information

Molecular Formula
C16H14FNO5
SMILES
COC1=C(C=CC(=C1)C(=O)O)OCC(=O)NC2=CC=C(C=C2)F
InChI
InChI=1S/C16H14FNO5/c1-22-14-8-10(16(20)21)2-7-13(14)23-9-15(19)18-12-5-3-11(17)4-6-12/h2-8H,9H2,1H3,(H,18,19)(H,20,21)
InChIKey
QUMXLXDQFRJONC-UHFFFAOYSA-N
Compound name
4-[2-(4-fluoroanilino)-2-oxoethoxy]-3-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0856 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.09288 169.3
[M+Na]+ 342.07482 175.9
[M-H]- 318.07832 173.6
[M+NH4]+ 337.11942 182.2
[M+K]+ 358.04876 173.3
[M+H-H2O]+ 302.08286 160.2
[M+HCOO]- 364.08380 190.8
[M+CH3COO]- 378.09945 206.8
[M+Na-2H]- 340.06027 171.2
[M]+ 319.08505 171.0
[M]- 319.08615 171.0
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

No patent data available for this compound.