CID 117363539

1898403-94-5

Structural Information

Molecular Formula
C10H9ClO5
SMILES
COC1=C(C(=C(C=C1)C(=O)C(=O)O)Cl)OC
InChI
InChI=1S/C10H9ClO5/c1-15-6-4-3-5(8(12)10(13)14)7(11)9(6)16-2/h3-4H,1-2H3,(H,13,14)
InChIKey
QRNUQZAOVMRJIC-UHFFFAOYSA-N
Compound name
2-(2-chloro-3,4-dimethoxyphenyl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.01385 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02113 146.4
[M+Na]+ 267.00307 158.6
[M+NH4]+ 262.04767 152.7
[M+K]+ 282.97701 154.5
[M-H]- 243.00657 145.9
[M+Na-2H]- 264.98852 150.7
[M]+ 244.01330 148.0
[M]- 244.01440 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

No patent data available for this compound.