CID 124203212

Ethyl (e)-2-(5-methyl-2-oxobenzofuran-3(2h)-ylidene)acetate

Structural Information

Molecular Formula
C13H12O4
SMILES
CCOC(=O)/C=C/1\C2=C(C=CC(=C2)C)OC1=O
InChI
InChI=1S/C13H12O4/c1-3-16-12(14)7-10-9-6-8(2)4-5-11(9)17-13(10)15/h4-7H,3H2,1-2H3/b10-7+
InChIKey
YBQXFHKKDZKMKA-JXMROGBWSA-N
Compound name
ethyl (2E)-2-(5-methyl-2-oxo-1-benzofuran-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 148.4
[M+Na]+ 255.062778 157.8
[M-H]- 231.066284 154.1
[M+NH4]+ 250.107383 168.4
[M+K]+ 271.036718 156.3
[M+H-H2O]+ 215.070820 143.4
[M+HCOO]- 277.071761 170.4
[M+CH3COO]- 291.087411 189.9
[M+Na-2H]- 253.048226 152.2
[M]+ 232.07301142 152.6
[M]- 232.07410858 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.