CID 806314

662154-29-2

Structural Information

Molecular Formula
C10H9ClO5
SMILES
COC1=CC(=CC(=C1OCC(=O)O)C=O)Cl
InChI
InChI=1S/C10H9ClO5/c1-15-8-3-7(11)2-6(4-12)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)
InChIKey
BUWMPGOSLRJIOT-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-formyl-6-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

12
Patents

244.01385 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.02113 146.6
[M+Na]+ 267.00307 159.1
[M+NH4]+ 262.04767 153.0
[M+K]+ 282.97701 154.2
[M-H]- 243.00657 146.3
[M+Na-2H]- 264.98852 151.2
[M]+ 244.01330 148.3
[M]- 244.01440 148.3
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