CID 1229840

3-[(4-chlorophenoxy)methyl]-4-methoxybenzoic acid

Structural Information

Molecular Formula
C15H13ClO4
SMILES
COC1=C(C=C(C=C1)C(=O)O)COC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H13ClO4/c1-19-14-7-2-10(15(17)18)8-11(14)9-20-13-5-3-12(16)4-6-13/h2-8H,9H2,1H3,(H,17,18)
InChIKey
GDXSXRIRYUEDOH-UHFFFAOYSA-N
Compound name
3-[(4-chlorophenoxy)methyl]-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.05023 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05751 162.3
[M+Na]+ 315.03945 177.3
[M+NH4]+ 310.08405 170.0
[M+K]+ 331.01339 170.1
[M-H]- 291.04295 165.6
[M+Na-2H]- 313.02490 170.4
[M]+ 292.04968 165.7
[M]- 292.05078 165.7
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