CID 9195

1,2-benzofluorene

Structural Information

Molecular Formula
C17H12
SMILES
C1C2=CC=CC=C2C3=C1C4=CC=CC=C4C=C3
InChI
InChI=1S/C17H12/c1-3-7-14-12(5-1)9-10-16-15-8-4-2-6-13(15)11-17(14)16/h1-10H,11H2
InChIKey
HKMTVMBEALTRRR-UHFFFAOYSA-N
Compound name
11H-benzo[a]fluorene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

15
References

18655
Patents

216.0939 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10118 145.9
[M+Na]+ 239.08312 155.9
[M-H]- 215.08662 152.7
[M+NH4]+ 234.12772 169.5
[M+K]+ 255.05706 149.7
[M+H-H2O]+ 199.09116 139.5
[M+HCOO]- 261.09210 168.1
[M+CH3COO]- 275.10775 159.8
[M+Na-2H]- 237.06857 154.5
[M]+ 216.09335 146.2
[M]- 216.09445 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

literature stripe

Patent stripe

patents stripe