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 162.9
[M+Na]+ 329.01872 170.9
[M-H]- 305.02222 168.6
[M+NH4]+ 324.06332 177.6
[M+K]+ 344.99266 167.1
[M+H-H2O]+ 289.02676 156.3
[M+HCOO]- 351.02770 180.5
[M+CH3COO]- 365.04335 198.3
[M+Na-2H]- 327.00417 166.0
[M]+ 306.02895 168.1
[M]- 306.03005 168.1
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