CID 201680

Acetic acid, (2-((4-chlorobenzoyl)amino)-5-methoxyphenoxy)-

Structural Information

Molecular Formula
C16H14ClNO5
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)Cl)OCC(=O)O
InChI
InChI=1S/C16H14ClNO5/c1-22-12-6-7-13(14(8-12)23-9-15(19)20)18-16(21)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKey
YFVPMPQQUFKWEL-UHFFFAOYSA-N
Compound name
2-[2-[(4-chlorobenzoyl)amino]-5-methoxyphenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.05606 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06334 173.1
[M+Na]+ 358.04528 185.7
[M+NH4]+ 353.08988 179.1
[M+K]+ 374.01922 180.0
[M-H]- 334.04878 175.6
[M+Na-2H]- 356.03073 179.6
[M]+ 335.05551 175.6
[M]- 335.05661 175.6
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.