CID 59611589

2-bromo-9,9-difluoro-7-iodo-9h-fluorene

Structural Information

Molecular Formula
C13H6BrF2I
SMILES
C1=CC2=C(C=C1Br)C(C3=C2C=CC(=C3)I)(F)F
InChI
InChI=1S/C13H6BrF2I/c14-7-1-3-9-10-4-2-8(17)6-12(10)13(15,16)11(9)5-7/h1-6H
InChIKey
DKSYLEFLMUQPDJ-UHFFFAOYSA-N
Compound name
2-bromo-9,9-difluoro-7-iodofluorene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

73
Patents

405.86658 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.87386 159.2
[M+Na]+ 428.85580 167.9
[M-H]- 404.85930 159.0
[M+NH4]+ 423.90040 179.4
[M+K]+ 444.82974 160.8
[M+H-H2O]+ 388.86384 155.3
[M+HCOO]- 450.86478 173.7
[M+CH3COO]- 464.88043 170.4
[M+Na-2H]- 426.84125 155.2
[M]+ 405.86603 173.7
[M]- 405.86713 173.7
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