CID 512956

2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione

Structural Information

Molecular Formula
C15H14O4
SMILES
CC(C)(C1CC2=C(O1)C3=CC=CC=C3C(=O)C2=O)O
InChI
InChI=1S/C15H14O4/c1-15(2,18)11-7-10-13(17)12(16)8-5-3-4-6-9(8)14(10)19-11/h3-6,11,18H,7H2,1-2H3
InChIKey
CSULKNDCWKWSBM-UHFFFAOYSA-N
Compound name
2-(2-hydroxypropan-2-yl)-2,3-dihydrobenzo[g][1]benzofuran-4,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.09648 155.1
[M+Na]+ 281.07842 164.6
[M-H]- 257.08192 160.4
[M+NH4]+ 276.12302 174.4
[M+K]+ 297.05236 162.0
[M+H-H2O]+ 241.08646 150.7
[M+HCOO]- 303.08740 172.3
[M+CH3COO]- 317.10305 194.5
[M+Na-2H]- 279.06387 160.8
[M]+ 258.08865 156.9
[M]- 258.08975 156.9
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.