CID 184665

Benzo(j)fluoranthen-4-ol

Structural Information

Molecular Formula
C20H12O
SMILES
C1=CC=C2C(=C1)C=CC3=C2C4=C5C3=CC=CC5=C(C=C4)O
InChI
InChI=1S/C20H12O/c21-18-11-10-17-19-13-5-2-1-4-12(13)8-9-15(19)14-6-3-7-16(18)20(14)17/h1-11,21H
InChIKey
OEAKGNRTXCFURY-UHFFFAOYSA-N
Compound name
pentacyclo[10.7.1.02,11.03,8.016,20]icosa-1(20),2(11),3,5,7,9,12,14,16,18-decaen-17-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0888 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.096076 158.6
[M+Na]+ 291.078018 170.4
[M-H]- 267.081524 165.2
[M+NH4]+ 286.122623 180.8
[M+K]+ 307.051958 162.8
[M+H-H2O]+ 251.086060 151.7
[M+HCOO]- 313.087001 179.2
[M+CH3COO]- 327.102651 171.8
[M+Na-2H]- 289.063466 167.7
[M]+ 268.08825142 162.2
[M]- 268.08934858 162.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.