CID 350421

2-(4-hydroxyphenyl)-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C15H10O3
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H10O3/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13,16H
InChIKey
VTQJAXNKAJABAA-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

238.06299 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07027 149.5
[M+Na]+ 261.05221 159.7
[M-H]- 237.05571 156.9
[M+NH4]+ 256.09681 169.6
[M+K]+ 277.02615 154.8
[M+H-H2O]+ 221.06025 143.5
[M+HCOO]- 283.06119 172.2
[M+CH3COO]- 297.07684 189.6
[M+Na-2H]- 259.03766 153.4
[M]+ 238.06244 149.7
[M]- 238.06354 149.7
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

patents stripe