CID 12123875

2-bromo-9,9-diethylfluorene

Structural Information

Molecular Formula
C17H17Br
SMILES
CCC1(C2=CC=CC=C2C3=C1C=C(C=C3)Br)CC
InChI
InChI=1S/C17H17Br/c1-3-17(4-2)15-8-6-5-7-13(15)14-10-9-12(18)11-16(14)17/h5-11H,3-4H2,1-2H3
InChIKey
HJXPGCTYMKCLTR-UHFFFAOYSA-N
Compound name
2-bromo-9,9-diethylfluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

997
Patents

300.05136 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.05864 166.8
[M+Na]+ 323.04058 180.2
[M-H]- 299.04408 175.3
[M+NH4]+ 318.08518 192.0
[M+K]+ 339.01452 167.3
[M+H-H2O]+ 283.04862 167.5
[M+HCOO]- 345.04956 186.8
[M+CH3COO]- 359.06521 181.7
[M+Na-2H]- 321.02603 173.4
[M]+ 300.05081 187.6
[M]- 300.05191 187.6
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