CID 3062515

2-benzylfluorene

Structural Information

Molecular Formula
C20H16
SMILES
C1C2=CC=CC=C2C3=C1C=C(C=C3)CC4=CC=CC=C4
InChI
InChI=1S/C20H16/c1-2-6-15(7-3-1)12-16-10-11-20-18(13-16)14-17-8-4-5-9-19(17)20/h1-11,13H,12,14H2
InChIKey
ULFQKXHBXXLEFC-UHFFFAOYSA-N
Compound name
2-benzyl-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

119
Patents

256.1252 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.13248 159.3
[M+Na]+ 279.11442 168.0
[M-H]- 255.11792 167.9
[M+NH4]+ 274.15902 179.9
[M+K]+ 295.08836 161.2
[M+H-H2O]+ 239.12246 151.7
[M+HCOO]- 301.12340 182.0
[M+CH3COO]- 315.13905 172.1
[M+Na-2H]- 277.09987 165.6
[M]+ 256.12465 159.3
[M]- 256.12575 159.3
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