CID 2414117

1022080-99-4

Structural Information

Molecular Formula
C11H11ClO4
SMILES
COC1=C(C(=CC(=C1)/C=C/C(=O)O)Cl)OC
InChI
InChI=1S/C11H11ClO4/c1-15-9-6-7(3-4-10(13)14)5-8(12)11(9)16-2/h3-6H,1-2H3,(H,13,14)/b4-3+
InChIKey
FZFFFBWBOZMKEP-ONEGZZNKSA-N
Compound name
(E)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.03459 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.04187 146.9
[M+Na]+ 265.02381 156.9
[M-H]- 241.02731 149.9
[M+NH4]+ 260.06841 165.3
[M+K]+ 280.99775 153.2
[M+H-H2O]+ 225.03185 142.5
[M+HCOO]- 287.03279 165.2
[M+CH3COO]- 301.04844 188.7
[M+Na-2H]- 263.00926 150.1
[M]+ 242.03404 152.6
[M]- 242.03514 152.6
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.