CID 204469

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

Structural Information

Molecular Formula
C15H10Cl3NO4
SMILES
C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)Cl)OCC(=O)O)Cl)Cl
InChI
InChI=1S/C15H10Cl3NO4/c16-8-1-4-13(23-7-14(20)21)10(5-8)15(22)19-9-2-3-11(17)12(18)6-9/h1-6H,7H2,(H,19,22)(H,20,21)
InChIKey
IASWEEGOKRGHCM-UHFFFAOYSA-N
Compound name
2-[4-chloro-2-[(3,4-dichlorophenyl)carbamoyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.96753 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.97481 173.6
[M+Na]+ 395.95675 183.0
[M-H]- 371.96025 178.1
[M+NH4]+ 391.00135 186.7
[M+K]+ 411.93069 176.9
[M+H-H2O]+ 355.96479 169.2
[M+HCOO]- 417.96573 181.8
[M+CH3COO]- 431.98138 212.7
[M+Na-2H]- 393.94220 174.2
[M]+ 372.96698 179.4
[M]- 372.96808 179.4
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.