CID 53436019

Benzo[b]fluorenone

Structural Information

Molecular Formula
C17H10O
SMILES
C1=CC=C2C=C3C4=CC=CC(=O)C4=CC3=CC2=C1
InChI
InChI=1S/C17H10O/c18-17-7-3-6-14-15-9-12-5-2-1-4-11(12)8-13(15)10-16(14)17/h1-10H
InChIKey
AGCQBGSDLGORJV-UHFFFAOYSA-N
Compound name
benzo[h]fluoren-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

230.07317 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.080446 148.5
[M+Na]+ 253.062388 159.6
[M-H]- 229.065894 155.7
[M+NH4]+ 248.106993 171.7
[M+K]+ 269.036328 153.4
[M+H-H2O]+ 213.070430 142.2
[M+HCOO]- 275.071371 171.0
[M+CH3COO]- 289.087021 162.6
[M+Na-2H]- 251.047836 156.5
[M]+ 230.07262142 150.0
[M]- 230.07371858 150.0
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