CID 27839

Brn 2764095

Structural Information

Molecular Formula
C16H14ClNO4
SMILES
CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)OCC(=O)O
InChI
InChI=1S/C16H14ClNO4/c1-10-2-4-11(5-3-10)16(21)18-13-8-12(17)6-7-14(13)22-9-15(19)20/h2-8H,9H2,1H3,(H,18,21)(H,19,20)
InChIKey
VUBLYXDEEFOHHQ-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-[(4-methylbenzoyl)amino]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.06113 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06841 170.5
[M+Na]+ 342.05035 183.6
[M+NH4]+ 337.09495 177.1
[M+K]+ 358.02429 177.4
[M-H]- 318.05385 173.5
[M+Na-2H]- 340.03580 177.4
[M]+ 319.06058 173.3
[M]- 319.06168 173.3
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.