CID 4383936

9-methyl-9-phenylfluorene

Structural Information

Molecular Formula
C20H16
SMILES
CC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C20H16/c1-20(15-9-3-2-4-10-15)18-13-7-5-11-16(18)17-12-6-8-14-19(17)20/h2-14H,1H3
InChIKey
ZNGOZTGLIVGMQC-UHFFFAOYSA-N
Compound name
9-methyl-9-phenylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

252
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 160.9
[M+Na]+ 279.11442 170.8
[M-H]- 255.11792 169.9
[M+NH4]+ 274.15902 183.6
[M+K]+ 295.08836 163.9
[M+H-H2O]+ 239.12246 153.1
[M+HCOO]- 301.12340 183.6
[M+CH3COO]- 315.13905 174.1
[M+Na-2H]- 277.09987 167.9
[M]+ 256.12465 161.1
[M]- 256.12575 161.1
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