CID 4403735

2-(3-chloro-4-methoxyphenyl)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C10H11ClO4
SMILES
CC(C1=CC(=C(C=C1)OC)Cl)(C(=O)O)O
InChI
InChI=1S/C10H11ClO4/c1-10(14,9(12)13)6-3-4-8(15-2)7(11)5-6/h3-5,14H,1-2H3,(H,12,13)
InChIKey
BBOQNELEJLKTML-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-methoxyphenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.03459 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.04187 144.4
[M+Na]+ 253.02381 153.4
[M-H]- 229.02731 146.1
[M+NH4]+ 248.06841 162.4
[M+K]+ 268.99775 150.1
[M+H-H2O]+ 213.03185 140.7
[M+HCOO]- 275.03279 159.7
[M+CH3COO]- 289.04844 183.9
[M+Na-2H]- 251.00926 149.1
[M]+ 230.03404 147.8
[M]- 230.03514 147.8
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

No patent data available for this compound.