CID 24198

2,4-dichloromandelic acid

Structural Information

Molecular Formula
C8H6Cl2O3
SMILES
C1=CC(=C(C=C1Cl)Cl)C(C(=O)O)O
InChI
InChI=1S/C8H6Cl2O3/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7,11H,(H,12,13)
InChIKey
YBOCBYSVZOREGT-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

35
Patents

219.9694 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97668 136.8
[M+Na]+ 242.95862 146.5
[M-H]- 218.96212 138.0
[M+NH4]+ 238.00322 155.4
[M+K]+ 258.93256 141.6
[M+H-H2O]+ 202.96666 134.2
[M+HCOO]- 264.96760 148.2
[M+CH3COO]- 278.98325 181.1
[M+Na-2H]- 240.94407 139.9
[M]+ 219.96885 139.0
[M]- 219.96995 139.0
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