CID 215309

35422-30-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.04547 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.