CID 21955678

3-(3,4-dichlorophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H10Cl2O2
SMILES
CC(CC1=CC(=C(C=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C10H10Cl2O2/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-3,5-6H,4H2,1H3,(H,13,14)
InChIKey
MIUCWTDZLBDHBE-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

232.00578 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01306 145.2
[M+Na]+ 254.99500 158.9
[M+NH4]+ 250.03960 153.5
[M+K]+ 270.96894 152.3
[M-H]- 230.99850 146.3
[M+Na-2H]- 252.98045 151.0
[M]+ 232.00523 148.0
[M]- 232.00633 148.0
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