CID 102951

3186-23-0

Structural Information

Molecular Formula
C10H5BrCl6
SMILES
C1=CC(C2C1C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)Br
InChI
InChI=1S/C10H5BrCl6/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H
InChIKey
OSFJYEFKYKUXPU-UHFFFAOYSA-N
Compound name
5-bromo-1,7,8,9,10,10-hexachlorotricyclo[5.2.1.02,6]deca-3,8-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.77057 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.77785 181.6
[M+Na]+ 436.75979 197.4
[M-H]- 412.76329 182.2
[M+NH4]+ 431.80439 205.6
[M+K]+ 452.73373 183.3
[M+H-H2O]+ 396.76783 185.8
[M+HCOO]- 458.76877 172.8
[M+CH3COO]- 472.78442 191.0
[M+Na-2H]- 434.74524 180.1
[M]+ 413.77002 194.2
[M]- 413.77112 194.2
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

patents stripe