CID 5468708

Nsc674913

Structural Information

Molecular Formula
C14H12O4
SMILES
CC1=C(O/C(=C/C(=O)OC)/C1=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12O4/c1-9-13(16)11(8-12(15)17-2)18-14(9)10-6-4-3-5-7-10/h3-8H,1-2H3/b11-8+
InChIKey
AVZXCWLODRSIHQ-DHZHZOJOSA-N
Compound name
methyl (2E)-2-(4-methyl-3-oxo-5-phenylfuran-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.07356 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 153.2
[M+Na]+ 267.06278 165.6
[M+NH4]+ 262.10738 160.2
[M+K]+ 283.03672 162.0
[M-H]- 243.06628 156.7
[M+Na-2H]- 265.04823 158.5
[M]+ 244.07301 155.8
[M]- 244.07411 155.8
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.