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 171.7
[M+Na]+ 358.04528 179.2
[M-H]- 334.04878 177.5
[M+NH4]+ 353.08988 185.1
[M+K]+ 374.01922 175.3
[M+H-H2O]+ 318.05332 164.7
[M+HCOO]- 380.05426 189.9
[M+CH3COO]- 394.06991 207.7
[M+Na-2H]- 356.03073 173.9
[M]+ 335.05551 176.9
[M]- 335.05661 176.9
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.