CID 3076256

130598-01-5

Structural Information

Molecular Formula
C14H10O4
SMILES
C1C(C2=C(CC1=O)C(=O)C=CC2=O)C3=CC=CO3
InChI
InChI=1S/C14H10O4/c15-8-6-9-11(16)3-4-12(17)14(9)10(7-8)13-2-1-5-18-13/h1-5,10H,6-7H2
InChIKey
ZFZWGGFRYHDMMI-UHFFFAOYSA-N
Compound name
8-(furan-2-yl)-7,8-dihydro-5H-naphthalene-1,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.065176 148.5
[M+Na]+ 265.047118 157.8
[M-H]- 241.050624 157.4
[M+NH4]+ 260.091723 167.6
[M+K]+ 281.021058 155.4
[M+H-H2O]+ 225.055160 142.7
[M+HCOO]- 287.056101 169.7
[M+CH3COO]- 301.071751 191.3
[M+Na-2H]- 263.032566 152.4
[M]+ 242.05735142 148.8
[M]- 242.05844858 148.8
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.