CID 12347959

(3-chloro-4-((3-chloro-4-methoxybenzyl)oxy)phenyl)acetic acid

Structural Information

Molecular Formula
C16H14Cl2O4
SMILES
COC1=C(C=C(C=C1)COC2=C(C=C(C=C2)CC(=O)O)Cl)Cl
InChI
InChI=1S/C16H14Cl2O4/c1-21-14-4-3-11(7-12(14)17)9-22-15-5-2-10(6-13(15)18)8-16(19)20/h2-7H,8-9H2,1H3,(H,19,20)
InChIKey
RPNSUIRLAUJMRP-UHFFFAOYSA-N
Compound name
2-[3-chloro-4-[(3-chloro-4-methoxyphenyl)methoxy]phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

340.02692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.034196 170.0
[M+Na]+ 363.016138 179.9
[M-H]- 339.019644 175.4
[M+NH4]+ 358.060743 184.7
[M+K]+ 378.990078 174.2
[M+H-H2O]+ 323.024180 164.4
[M+HCOO]- 385.025121 182.8
[M+CH3COO]- 399.040771 206.4
[M+Na-2H]- 361.001586 171.7
[M]+ 340.02637142 177.6
[M]- 340.02746858 177.6
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