CID 364107

Nsc629752

Structural Information

Molecular Formula
C16H14O6
SMILES
CC(C1=CC2=C(O1)C(=O)C3=C(C2=O)C(=C(C=C3)OC)OC)O
InChI
InChI=1S/C16H14O6/c1-7(17)11-6-9-13(18)12-8(14(19)15(9)22-11)4-5-10(20-2)16(12)21-3/h4-7,17H,1-3H3
InChIKey
VYRRGNLZMANFSL-UHFFFAOYSA-N
Compound name
2-(1-hydroxyethyl)-5,6-dimethoxybenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07904 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 163.4
[M+Na]+ 325.06826 174.0
[M-H]- 301.07176 169.4
[M+NH4]+ 320.11286 181.1
[M+K]+ 341.04220 172.6
[M+H-H2O]+ 285.07630 158.3
[M+HCOO]- 347.07724 182.5
[M+CH3COO]- 361.09289 204.9
[M+Na-2H]- 323.05371 166.3
[M]+ 302.07849 170.5
[M]- 302.07959 170.5
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.