CID 4090082

2,7-di-tert-butylfluorene

Structural Information

Molecular Formula
C21H26
SMILES
CC(C)(C)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(C)(C)C
InChI
InChI=1S/C21H26/c1-20(2,3)16-7-9-18-14(12-16)11-15-13-17(21(4,5)6)8-10-19(15)18/h7-10,12-13H,11H2,1-6H3
InChIKey
DFZYPLLGAQIQTD-UHFFFAOYSA-N
Compound name
2,7-ditert-butyl-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1373
Patents

278.20346 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.21074 171.7
[M+Na]+ 301.19268 180.4
[M-H]- 277.19618 177.5
[M+NH4]+ 296.23728 192.7
[M+K]+ 317.16662 175.3
[M+H-H2O]+ 261.20072 166.5
[M+HCOO]- 323.20166 189.4
[M+CH3COO]- 337.21731 205.4
[M+Na-2H]- 299.17813 176.4
[M]+ 278.20291 174.1
[M]- 278.20401 174.1
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