CID 15569

Bindone

Structural Information

Molecular Formula
C18H10O3
SMILES
C1C(=C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4C1=O
InChI
InChI=1S/C18H10O3/c19-15-9-14(10-5-1-2-6-11(10)15)16-17(20)12-7-3-4-8-13(12)18(16)21/h1-8H,9H2
InChIKey
YMFDOLAAUHRURP-UHFFFAOYSA-N
Compound name
2-(3-oxoinden-1-ylidene)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

258
Patents

274.063 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07028 160.4
[M+Na]+ 297.05222 171.3
[M-H]- 273.05572 170.1
[M+NH4]+ 292.09682 182.5
[M+K]+ 313.02616 165.1
[M+H-H2O]+ 257.06026 155.0
[M+HCOO]- 319.06120 183.0
[M+CH3COO]- 333.07685 174.1
[M+Na-2H]- 295.03767 161.4
[M]+ 274.06245 160.5
[M]- 274.06355 160.5
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