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

2
Patents

340.02692 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.03420 170.0
[M+Na]+ 363.01614 179.9
[M-H]- 339.01964 175.4
[M+NH4]+ 358.06074 184.7
[M+K]+ 378.99008 174.2
[M+H-H2O]+ 323.02418 164.4
[M+HCOO]- 385.02512 182.8
[M+CH3COO]- 399.04077 206.4
[M+Na-2H]- 361.00159 171.7
[M]+ 340.02637 177.6
[M]- 340.02747 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