CID 21867930

2,7-dibromo-9,9-bis(6-bromohexyl)fluorene

Structural Information

Molecular Formula
C25H30Br4
SMILES
C1=CC2=C(C=C1Br)C(C3=C2C=CC(=C3)Br)(CCCCCCBr)CCCCCCBr
InChI
InChI=1S/C25H30Br4/c26-15-7-3-1-5-13-25(14-6-2-4-8-16-27)23-17-19(28)9-11-21(23)22-12-10-20(29)18-24(22)25/h9-12,17-18H,1-8,13-16H2
InChIKey
OJMAUBALNSWGDC-UHFFFAOYSA-N
Compound name
2,7-dibromo-9,9-bis(6-bromohexyl)fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

169
Patents

645.9081 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 646.91538 187.2
[M+Na]+ 668.89732 192.1
[M-H]- 644.90082 191.3
[M+NH4]+ 663.94192 196.7
[M+K]+ 684.87126 179.3
[M+H-H2O]+ 628.90536 205.3
[M+HCOO]- 690.90630 191.2
[M+CH3COO]- 704.92195 249.3
[M+Na-2H]- 666.88277 186.6
[M]+ 645.90755 227.3
[M]- 645.90865 227.3
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