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]+ 233.08084 148.4
[M+Na]+ 255.06278 157.8
[M-H]- 231.06628 154.1
[M+NH4]+ 250.10738 168.4
[M+K]+ 271.03672 156.3
[M+H-H2O]+ 215.07082 143.4
[M+HCOO]- 277.07176 170.4
[M+CH3COO]- 291.08741 189.9
[M+Na-2H]- 253.04823 152.2
[M]+ 232.07301 152.6
[M]- 232.07411 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.