CID 6475603

(3r,4s,5e,7s)-4,8-dibromo-3,7-dichloro-3,7-dimethyl-octa-1,5-diene

Structural Information

Molecular Formula
C10H14Br2Cl2
SMILES
C[C@@](CBr)(/C=C/[C@@H]([C@@](C)(C=C)Cl)Br)Cl
InChI
InChI=1S/C10H14Br2Cl2/c1-4-10(3,14)8(12)5-6-9(2,13)7-11/h4-6,8H,1,7H2,2-3H3/b6-5+/t8-,9-,10+/m0/s1
InChIKey
GMRISVPDHRWESB-JFMIBXDUSA-N
Compound name
(3R,4S,5E,7S)-4,8-dibromo-3,7-dichloro-3,7-dimethylocta-1,5-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

361.88394 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.89122 163.1
[M+Na]+ 384.87316 175.0
[M-H]- 360.87666 166.9
[M+NH4]+ 379.91776 181.6
[M+K]+ 400.84710 154.9
[M+H-H2O]+ 344.88120 172.3
[M+HCOO]- 406.88214 167.6
[M+CH3COO]- 420.89779 211.5
[M+Na-2H]- 382.85861 167.7
[M]+ 361.88339 197.5
[M]- 361.88449 197.5
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

No patent data available for this compound.