CID 204468

Acetic acid, (2-(((3,4-dichlorophenyl)amino)carbonyl)-4-methylphenoxy)-

Structural Information

Molecular Formula
C16H13Cl2NO4
SMILES
CC1=CC(=C(C=C1)OCC(=O)O)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl2NO4/c1-9-2-5-14(23-8-15(20)21)11(6-9)16(22)19-10-3-4-12(17)13(18)7-10/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKey
MGINWPARJMWTSG-UHFFFAOYSA-N
Compound name
2-[2-[(3,4-dichlorophenyl)carbamoyl]-4-methylphenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.02216 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.029436 173.8
[M+Na]+ 376.011378 182.8
[M-H]- 352.014884 179.3
[M+NH4]+ 371.055983 187.5
[M+K]+ 391.985318 177.1
[M+H-H2O]+ 336.019420 168.3
[M+HCOO]- 398.020361 186.9
[M+CH3COO]- 412.036011 211.0
[M+Na-2H]- 373.996826 174.7
[M]+ 353.02161142 179.5
[M]- 353.02270858 179.5
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.