CID 4168962

9-butyl-9-phenylfluorene

Structural Information

Molecular Formula
C23H22
SMILES
CCCCC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4
InChI
InChI=1S/C23H22/c1-2-3-17-23(18-11-5-4-6-12-18)21-15-9-7-13-19(21)20-14-8-10-16-22(20)23/h4-16H,2-3,17H2,1H3
InChIKey
NPHNGFPRFFCYLW-UHFFFAOYSA-N
Compound name
9-butyl-9-phenylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.17215 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.17943 175.0
[M+Na]+ 321.16137 183.5
[M-H]- 297.16487 183.4
[M+NH4]+ 316.20597 195.9
[M+K]+ 337.13531 175.9
[M+H-H2O]+ 281.16941 166.5
[M+HCOO]- 343.17035 196.6
[M+CH3COO]- 357.18600 186.8
[M+Na-2H]- 319.14682 180.2
[M]+ 298.17160 176.1
[M]- 298.17270 176.1
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.