CID 15880

4-chlorophenylacetic acid

Structural Information

Molecular Formula
C8H7ClO2
SMILES
C1=CC(=CC=C1CC(=O)O)Cl
InChI
InChI=1S/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
CDPKJZJVTHSESZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

4249
Patents

170.01346 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.02074 130.6
[M+Na]+ 193.00268 144.3
[M+NH4]+ 188.04728 139.4
[M+K]+ 208.97662 137.8
[M-H]- 169.00618 132.2
[M+Na-2H]- 190.98813 137.7
[M]+ 170.01291 133.2
[M]- 170.01401 133.2
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

patents stripe