CID 37129

Brn 2776921

Structural Information

Molecular Formula
C17H15Cl2NO4
SMILES
CCC1=CC(=C(C=C1)OCC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H15Cl2NO4/c1-2-10-3-6-15(24-9-16(21)22)14(7-10)20-17(23)11-4-5-12(18)13(19)8-11/h3-8H,2,9H2,1H3,(H,20,23)(H,21,22)
InChIKey
MGYKQYUMZUFQMI-UHFFFAOYSA-N
Compound name
2-[2-[(3,4-dichlorobenzoyl)amino]-4-ethylphenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0378 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.04508 180.3
[M+Na]+ 390.02702 194.1
[M+NH4]+ 385.07162 186.8
[M+K]+ 406.00096 187.1
[M-H]- 366.03052 183.2
[M+Na-2H]- 388.01247 186.7
[M]+ 367.03725 183.6
[M]- 367.03835 183.6
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.