CID 145998

2-(4-chlorophenyl)-2-oxoacetic acid

Structural Information

Molecular Formula
C8H5ClO3
SMILES
C1=CC(=CC=C1C(=O)C(=O)O)Cl
InChI
InChI=1S/C8H5ClO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4H,(H,11,12)
InChIKey
RSAXVDMWQCQTDT-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

219
Patents

183.99272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.00000 132.8
[M+Na]+ 206.98194 145.6
[M+NH4]+ 202.02654 140.6
[M+K]+ 222.95588 140.5
[M-H]- 182.98544 133.3
[M+Na-2H]- 204.96739 138.9
[M]+ 183.99217 134.9
[M]- 183.99327 134.9
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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