CID 6697

Benzanthrone

Structural Information

Molecular Formula
C17H10O
SMILES
C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)C2=O
InChI
InChI=1S/C17H10O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-10H
InChIKey
HUKPVYBUJRAUAG-UHFFFAOYSA-N
Compound name
benzo[a]phenalen-7-one
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

84
References

9536
Patents

230.07317 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.08045 148.2
[M+Na]+ 253.06239 166.4
[M+NH4]+ 248.10699 160.3
[M+K]+ 269.03633 155.9
[M-H]- 229.06589 153.9
[M+Na-2H]- 251.04784 156.9
[M]+ 230.07262 152.8
[M]- 230.07372 152.8
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