CID 22607

Brn 2399553

Structural Information

Molecular Formula
C16H13Cl2NO5
SMILES
COC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)Cl)OCC(=O)O
InChI
InChI=1S/C16H13Cl2NO5/c1-23-10-3-5-13(14(7-10)24-8-15(20)21)19-16(22)9-2-4-11(17)12(18)6-9/h2-7H,8H2,1H3,(H,19,22)(H,20,21)
InChIKey
SDCVGWDYRPQNPK-UHFFFAOYSA-N
Compound name
2-[2-[(3,4-dichlorobenzoyl)amino]-5-methoxyphenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0171 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02438 175.8
[M+Na]+ 392.00632 184.6
[M-H]- 368.00982 181.4
[M+NH4]+ 387.05092 188.8
[M+K]+ 407.98026 179.7
[M+H-H2O]+ 352.01436 170.1
[M+HCOO]- 414.01530 189.1
[M+CH3COO]- 428.03095 213.2
[M+Na-2H]- 389.99177 176.9
[M]+ 369.01655 182.9
[M]- 369.01765 182.9
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.