CID 83441848

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

Structural Information

Molecular Formula
C9H8Cl2O3
SMILES
C1=C(C=C(C=C1Cl)Cl)CC(C(=O)O)O
InChI
InChI=1S/C9H8Cl2O3/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14/h1-2,4,8,12H,3H2,(H,13,14)
InChIKey
WAPRDUNGVFMJAK-UHFFFAOYSA-N
Compound name
3-(3,5-dichlorophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.98505 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.99233 141.4
[M+Na]+ 256.97427 150.7
[M-H]- 232.97777 142.5
[M+NH4]+ 252.01887 159.6
[M+K]+ 272.94821 145.6
[M+H-H2O]+ 216.98231 138.6
[M+HCOO]- 278.98325 152.6
[M+CH3COO]- 292.99890 184.0
[M+Na-2H]- 254.95972 144.0
[M]+ 233.98450 144.0
[M]- 233.98560 144.0
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

No patent data available for this compound.