CID 23044

Brn 2397412

Structural Information

Molecular Formula
C16H13Cl2NO4
SMILES
CC1=CC(=C(C=C1)OCC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H13Cl2NO4/c1-9-2-5-14(23-8-15(20)21)13(6-9)19-16(22)10-3-4-11(17)12(18)7-10/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKey
AJQVJNRWYSKGQO-UHFFFAOYSA-N
Compound name
2-[2-[(3,4-dichlorobenzoyl)amino]-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]+ 354.02944 173.8
[M+Na]+ 376.01138 182.8
[M-H]- 352.01488 179.3
[M+NH4]+ 371.05598 187.5
[M+K]+ 391.98532 177.1
[M+H-H2O]+ 336.01942 168.3
[M+HCOO]- 398.02036 186.9
[M+CH3COO]- 412.03601 211.0
[M+Na-2H]- 373.99683 174.7
[M]+ 353.02161 179.5
[M]- 353.02271 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.