CID 21889793

3-(2-chloro-3-methoxyphenyl)-2-propenoic acid

Structural Information

Molecular Formula
C10H9ClO3
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)O
InChI
InChI=1S/C10H9ClO3/c1-14-8-4-2-3-7(10(8)11)5-6-9(12)13/h2-6H,1H3,(H,12,13)/b6-5+
InChIKey
UXFIXEIODLQLDQ-AATRIKPKSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

212.02402 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.031296 140.4
[M+Na]+ 235.013238 150.0
[M-H]- 211.016744 143.2
[M+NH4]+ 230.057843 159.8
[M+K]+ 250.987178 145.9
[M+H-H2O]+ 195.021280 136.2
[M+HCOO]- 257.022221 158.8
[M+CH3COO]- 271.037871 182.3
[M+Na-2H]- 232.998686 144.8
[M]+ 212.02347142 143.9
[M]- 212.02456858 143.9
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

patents stripe