CID 21191143

2-(3,5-dichlorophenyl)-2-hydroxyacetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
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

No literature data available for this compound.

Patent stripe

patents stripe