CID 21714760

2-(3,4-dichlorophenyl)propanoic acid

Structural Information

Molecular Formula
C9H8Cl2O2
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)C(=O)O
InChI
InChI=1S/C9H8Cl2O2/c1-5(9(12)13)6-2-3-7(10)8(11)4-6/h2-5H,1H3,(H,12,13)
InChIKey
JSAPFNPRLYFXQD-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

217.99013 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.99741 140.6
[M+Na]+ 240.97935 154.6
[M+NH4]+ 236.02395 149.2
[M+K]+ 256.95329 148.2
[M-H]- 216.98285 141.8
[M+Na-2H]- 238.96480 146.8
[M]+ 217.98958 143.5
[M]- 217.99068 143.5
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