CID 22608

Brn 2392975

Structural Information

Molecular Formula
C15H12ClNO4
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)OCC(=O)O
InChI
InChI=1S/C15H12ClNO4/c16-11-6-7-13(21-9-14(18)19)12(8-11)17-15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKey
LYTLWBKQQIBQGA-UHFFFAOYSA-N
Compound name
2-(2-benzamido-4-chlorophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.05275 164.9
[M+Na]+ 328.03469 172.2
[M-H]- 304.03819 170.5
[M+NH4]+ 323.07929 179.4
[M+K]+ 344.00863 167.7
[M+H-H2O]+ 288.04273 158.1
[M+HCOO]- 350.04367 183.3
[M+CH3COO]- 364.05932 201.3
[M+Na-2H]- 326.02014 168.3
[M]+ 305.04492 168.0
[M]- 305.04602 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

No literature data available for this compound.

Patent stripe

patents stripe