CID 95676

3-(2-chlorophenyl)propionic acid

Structural Information

Molecular Formula
C9H9ClO2
SMILES
C1=CC=C(C(=C1)CCC(=O)O)Cl
InChI
InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
InChIKey
KZMDFTFGWIVSNQ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

415
Patents

184.02911 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.03639 135.2
[M+Na]+ 207.01833 148.6
[M+NH4]+ 202.06293 143.8
[M+K]+ 222.99227 142.0
[M-H]- 183.02183 136.7
[M+Na-2H]- 205.00378 142.0
[M]+ 184.02856 137.8
[M]- 184.02966 137.8
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

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