CID 84099

3,4-dichlorobenzyloxyacetic acid

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
C1=CC(=C(C=C1COCC(=O)O)Cl)Cl
InChI
InChI=1S/C9H8Cl2O3/c10-7-2-1-6(3-8(7)11)4-14-5-9(12)13/h1-3H,4-5H2,(H,12,13)
InChIKey
MWZJIYRBTKZIPI-UHFFFAOYSA-N
Compound name
2-[(3,4-dichlorophenyl)methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

8
Patents

233.98505 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99233 143.1
[M+Na]+ 256.97427 156.8
[M+NH4]+ 252.01887 151.1
[M+K]+ 272.94821 150.3
[M-H]- 232.97777 143.9
[M+Na-2H]- 254.95972 149.1
[M]+ 233.98450 145.8
[M]- 233.98560 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe