CID 200527

Np 1079

Structural Information

Molecular Formula
C15H11ClO5
SMILES
C1=CC=C(C(=C1)C(=O)O)OC(=O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H11ClO5/c16-10-5-7-11(8-6-10)20-9-14(17)21-13-4-2-1-3-12(13)15(18)19/h1-8H,9H2,(H,18,19)
InChIKey
YLORRFCYNICFMA-UHFFFAOYSA-N
Compound name
2-[2-(4-chlorophenoxy)acetyl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.0295 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03678 164.2
[M+Na]+ 329.01872 178.0
[M+NH4]+ 324.06332 170.9
[M+K]+ 344.99266 172.0
[M-H]- 305.02222 166.5
[M+Na-2H]- 327.00417 171.6
[M]+ 306.02895 167.0
[M]- 306.03005 167.0
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.