CID 84458

1h-benzo[b]fluorene

Structural Information

Molecular Formula
C17H12
SMILES
C1C=CC=C2C1=CC3=CC4=CC=CC=C4C=C23
InChI
InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-6,8-11H,7H2
InChIKey
RZKOXMMPOZMIOS-UHFFFAOYSA-N
Compound name
1H-benzo[b]fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

216.0939 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.101176 145.9
[M+Na]+ 239.083118 155.9
[M-H]- 215.086624 152.7
[M+NH4]+ 234.127723 169.5
[M+K]+ 255.057058 149.7
[M+H-H2O]+ 199.091160 139.5
[M+HCOO]- 261.092101 168.1
[M+CH3COO]- 275.107751 159.8
[M+Na-2H]- 237.068566 154.5
[M]+ 216.09335142 146.2
[M]- 216.09444858 146.2
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

patents stripe