CID 21183

Hydrindantin

Structural Information

Molecular Formula
C18H10O6
SMILES
C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C(=O)C4=CC=CC=C4C3=O)O)O
InChI
InChI=1S/C18H10O6/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22/h1-8,23-24H
InChIKey
LWFPYLZOVOCBPZ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(2-hydroxy-1,3-dioxoinden-2-yl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

344
Patents

322.04773 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.05501 167.9
[M+Na]+ 345.03695 180.3
[M-H]- 321.04045 175.9
[M+NH4]+ 340.08155 190.7
[M+K]+ 361.01089 174.8
[M+H-H2O]+ 305.04499 164.0
[M+HCOO]- 367.04593 187.8
[M+CH3COO]- 381.06158 201.8
[M+Na-2H]- 343.02240 171.2
[M]+ 322.04718 170.4
[M]- 322.04828 170.4
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