CID 181716

2-[4-(4-chlorobenzoyl)phenoxy]acetic acid

Structural Information

Molecular Formula
C15H11ClO4
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OCC(=O)O
InChI
InChI=1S/C15H11ClO4/c16-12-5-1-10(2-6-12)15(19)11-3-7-13(8-4-11)20-9-14(17)18/h1-8H,9H2,(H,17,18)
InChIKey
VXEQLPQDVNSOPB-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorobenzoyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

290.03458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.04186 160.1
[M+Na]+ 313.02380 168.2
[M-H]- 289.02730 165.8
[M+NH4]+ 308.06840 175.5
[M+K]+ 328.99774 163.7
[M+H-H2O]+ 273.03184 153.7
[M+HCOO]- 335.03278 177.4
[M+CH3COO]- 349.04843 196.8
[M+Na-2H]- 311.00925 163.1
[M]+ 290.03403 163.9
[M]- 290.03513 163.9
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

patents stripe