CID 5468860

Acetic acid, (4-chloro-5-(4-methoxyphenyl)-3-oxo-2(3h)-furanylidene)-, methyl ester

Structural Information

Molecular Formula
C14H11ClO5
SMILES
COC1=CC=C(C=C1)C2=C(C(=O)/C(=C\C(=O)OC)/O2)Cl
InChI
InChI=1S/C14H11ClO5/c1-18-9-5-3-8(4-6-9)14-12(15)13(17)10(20-14)7-11(16)19-2/h3-7H,1-2H3/b10-7+
InChIKey
SLDQNGPWFHMXHZ-JXMROGBWSA-N
Compound name
methyl (2E)-2-[4-chloro-5-(4-methoxyphenyl)-3-oxofuran-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0295 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.03678 161.2
[M+Na]+ 317.01872 171.6
[M-H]- 293.02222 169.6
[M+NH4]+ 312.06332 178.4
[M+K]+ 332.99266 168.8
[M+H-H2O]+ 277.02676 156.0
[M+HCOO]- 339.02770 180.1
[M+CH3COO]- 353.04335 198.2
[M+Na-2H]- 315.00417 162.6
[M]+ 294.02895 168.4
[M]- 294.03005 168.4
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.