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]+ 370.024376 175.8
[M+Na]+ 392.006318 184.6
[M-H]- 368.009824 181.4
[M+NH4]+ 387.050923 188.8
[M+K]+ 407.980258 179.7
[M+H-H2O]+ 352.014360 170.1
[M+HCOO]- 414.015301 189.1
[M+CH3COO]- 428.030951 213.2
[M+Na-2H]- 389.991766 176.9
[M]+ 369.01655142 182.9
[M]- 369.01764858 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.