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
7
Annotation Hits

84
References

10233
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 147.6
[M+Na]+ 253.06239 157.5
[M-H]- 229.06589 153.6
[M+NH4]+ 248.10699 168.9
[M+K]+ 269.03633 151.7
[M+H-H2O]+ 213.07043 140.2
[M+HCOO]- 275.07137 167.8
[M+CH3COO]- 289.08702 160.9
[M+Na-2H]- 251.04784 158.0
[M]+ 230.07262 148.5
[M]- 230.07372 148.5
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