CID 392175

Nsc692229

Structural Information

Molecular Formula
C15H12O4
SMILES
CC(=C)C1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O
InChI
InChI=1S/C15H12O4/c1-7(2)11-6-9-13(17)12-8(4-3-5-10(12)16)14(18)15(9)19-11/h3-5,11,16H,1,6H2,2H3
InChIKey
IBEJQTNPERQUOA-UHFFFAOYSA-N
Compound name
5-hydroxy-2-prop-1-en-2-yl-2,3-dihydrobenzo[f][1]benzofuran-4,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

256.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 153.4
[M+Na]+ 279.06277 163.4
[M-H]- 255.06627 158.9
[M+NH4]+ 274.10737 172.8
[M+K]+ 295.03671 160.2
[M+H-H2O]+ 239.07081 148.8
[M+HCOO]- 301.07175 171.3
[M+CH3COO]- 315.08740 195.6
[M+Na-2H]- 277.04822 156.2
[M]+ 256.07300 154.7
[M]- 256.07410 154.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.