CID 92662

57101-71-0

Structural Information

Molecular Formula
C16H12Cl2O6
SMILES
C1=CC(=C(C=C1C(=O)O)Cl)OCCOC2=C(C=C(C=C2)C(=O)O)Cl
InChI
InChI=1S/C16H12Cl2O6/c17-11-7-9(15(19)20)1-3-13(11)23-5-6-24-14-4-2-10(16(21)22)8-12(14)18/h1-4,7-8H,5-6H2,(H,19,20)(H,21,22)
InChIKey
BLTVSIJVJFEGQK-UHFFFAOYSA-N
Compound name
4-[2-(4-carboxy-2-chlorophenoxy)ethoxy]-3-chlorobenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

370.0011 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.00838 172.3
[M+Na]+ 392.99032 181.3
[M-H]- 368.99382 176.6
[M+NH4]+ 388.03492 184.7
[M+K]+ 408.96426 176.3
[M+H-H2O]+ 352.99836 167.0
[M+HCOO]- 414.99930 183.4
[M+CH3COO]- 429.01495 208.6
[M+Na-2H]- 390.97577 172.9
[M]+ 370.00055 179.8
[M]- 370.00165 179.8
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