CID 1504047

2-(5-chloro-2-methoxyphenyl)acetic acid

Structural Information

Molecular Formula
C9H9ClO3
SMILES
COC1=C(C=C(C=C1)Cl)CC(=O)O
InChI
InChI=1S/C9H9ClO3/c1-13-8-3-2-7(10)4-6(8)5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChIKey
KEUMRDNHQQLLKV-UHFFFAOYSA-N
Compound name
2-(5-chloro-2-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

204
Patents

200.02402 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.031296 136.8
[M+Na]+ 223.013238 146.4
[M-H]- 199.016744 139.7
[M+NH4]+ 218.057843 156.6
[M+K]+ 238.987178 143.1
[M+H-H2O]+ 183.021280 132.6
[M+HCOO]- 245.022221 155.3
[M+CH3COO]- 259.037871 180.9
[M+Na-2H]- 220.998686 141.6
[M]+ 200.02347142 140.6
[M]- 200.02456858 140.6
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