CID 248608

9-bromo-2,4,7-trichlorofluorene

Structural Information

Molecular Formula
C13H6BrCl3
SMILES
C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)Br
InChI
InChI=1S/C13H6BrCl3/c14-13-9-3-6(15)1-2-8(9)12-10(13)4-7(16)5-11(12)17/h1-5,13H
InChIKey
QOVQXCVVFBVTQL-UHFFFAOYSA-N
Compound name
9-bromo-2,4,7-trichloro-9H-fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.87186 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.87914 166.5
[M+Na]+ 368.86108 183.9
[M-H]- 344.86458 173.5
[M+NH4]+ 363.90568 189.5
[M+K]+ 384.83502 168.3
[M+H-H2O]+ 328.86912 169.1
[M+HCOO]- 390.87006 173.1
[M+CH3COO]- 404.88571 180.9
[M+Na-2H]- 366.84653 170.8
[M]+ 345.87131 188.7
[M]- 345.87241 188.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.