CID 371282

2,2',7,7'-tetrabromo-9,9'-spirobi[9h-fluorene]

Structural Information

Molecular Formula
C25H12Br4
SMILES
C1=CC2=C(C=C1Br)C3(C4=C2C=CC(=C4)Br)C5=C(C=CC(=C5)Br)C6=C3C=C(C=C6)Br
InChI
InChI=1S/C25H12Br4/c26-13-1-5-17-18-6-2-14(27)10-22(18)25(21(17)9-13)23-11-15(28)3-7-19(23)20-8-4-16(29)12-24(20)25/h1-12H
InChIKey
MASXXNUEJVMYML-UHFFFAOYSA-N
Compound name
2,2',7,7'-tetrabromo-9,9'-spirobi[fluorene]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

330
Patents

627.7673 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.77458 184.1
[M+Na]+ 650.75652 189.9
[M-H]- 626.76002 190.4
[M+NH4]+ 645.80112 194.9
[M+K]+ 666.73046 180.8
[M+H-H2O]+ 610.76456 202.9
[M+HCOO]- 672.76550 188.7
[M+CH3COO]- 686.78115 190.3
[M+Na-2H]- 648.74197 184.0
[M]+ 627.76675 222.4
[M]- 627.76785 222.4
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