CID 708990

2-[2-(4-chlorophenoxy)acetamido]benzoic acid

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
C1=CC=C(C(=C1)C(=O)O)NC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H12ClNO4/c16-10-5-7-11(8-6-10)21-9-14(18)17-13-4-2-1-3-12(13)15(19)20/h1-8H,9H2,(H,17,18)(H,19,20)
InChIKey
LXSDGQYDSDIUPN-UHFFFAOYSA-N
Compound name
2-[[2-(4-chlorophenoxy)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

305.04547 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.052746 164.9
[M+Na]+ 328.034688 172.2
[M-H]- 304.038194 170.5
[M+NH4]+ 323.079293 179.4
[M+K]+ 344.008628 167.7
[M+H-H2O]+ 288.042730 158.1
[M+HCOO]- 350.043671 183.3
[M+CH3COO]- 364.059321 201.3
[M+Na-2H]- 326.020136 168.3
[M]+ 305.04492142 168.0
[M]- 305.04601858 168.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe