CID 22381647

2-bromo-9,9-dibutylfluorene

Structural Information

Molecular Formula
C21H25Br
SMILES
CCCCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CCCC
InChI
InChI=1S/C21H25Br/c1-3-5-13-21(14-6-4-2)19-10-8-7-9-17(19)18-12-11-16(22)15-20(18)21/h7-12,15H,3-6,13-14H2,1-2H3
InChIKey
AVCNDQUBVOMMSL-UHFFFAOYSA-N
Compound name
2-bromo-9,9-dibutylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
Patents

356.11395 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.12123 185.6
[M+Na]+ 379.10317 197.3
[M-H]- 355.10667 193.3
[M+NH4]+ 374.14777 208.6
[M+K]+ 395.07711 183.4
[M+H-H2O]+ 339.11121 185.4
[M+HCOO]- 401.11215 204.1
[M+CH3COO]- 415.12780 198.7
[M+Na-2H]- 377.08862 189.9
[M]+ 356.11340 207.6
[M]- 356.11450 207.6
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