CID 5468858

Methyl (4-chloro-5-(4-methylphenyl)-3-oxo-2(3h)furanylidene)acetate

Structural Information

Molecular Formula
C14H11ClO4
SMILES
CC1=CC=C(C=C1)C2=C(C(=O)/C(=C\C(=O)OC)/O2)Cl
InChI
InChI=1S/C14H11ClO4/c1-8-3-5-9(6-4-8)14-12(15)13(17)10(19-14)7-11(16)18-2/h3-7H,1-2H3/b10-7+
InChIKey
IDLLDXHXWHEWIC-JXMROGBWSA-N
Compound name
methyl (2E)-2-[4-chloro-5-(4-methylphenyl)-3-oxofuran-2-ylidene]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03458 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04186 158.7
[M+Na]+ 301.02380 169.4
[M-H]- 277.02730 167.1
[M+NH4]+ 296.06840 176.7
[M+K]+ 316.99774 165.9
[M+H-H2O]+ 261.03184 153.7
[M+HCOO]- 323.03278 177.4
[M+CH3COO]- 337.04843 196.1
[M+Na-2H]- 299.00925 160.0
[M]+ 278.03403 164.4
[M]- 278.03513 164.4
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.