CID 3076256

Brn 4319523

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]+ 243.06518 148.5
[M+Na]+ 265.04712 157.8
[M-H]- 241.05062 157.4
[M+NH4]+ 260.09172 167.6
[M+K]+ 281.02106 155.4
[M+H-H2O]+ 225.05516 142.7
[M+HCOO]- 287.05610 169.7
[M+CH3COO]- 301.07175 191.3
[M+Na-2H]- 263.03257 152.4
[M]+ 242.05735 148.8
[M]- 242.05845 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.