CID 6475607

(e)-(2s,5s,6s,7s)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyl-oct-3-ene

Structural Information

Molecular Formula
C10H14Br3Cl3
SMILES
C[C@@](CBr)(/C=C/[C@@H]([C@@](C)([C@H](CCl)Br)Cl)Br)Cl
InChI
InChI=1S/C10H14Br3Cl3/c1-9(15,6-11)4-3-7(12)10(2,16)8(13)5-14/h3-4,7-8H,5-6H2,1-2H3/b4-3+/t7-,8-,9-,10-/m0/s1
InChIKey
PHKONGFYKSGPSW-DIAJGAPXSA-N
Compound name
(E,2S,5S,6S,7S)-1,5,7-tribromo-2,6,8-trichloro-2,6-dimethyloct-3-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

475.77112 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.77840 176.9
[M+Na]+ 498.76034 186.3
[M-H]- 474.76384 179.9
[M+NH4]+ 493.80494 190.1
[M+K]+ 514.73428 166.4
[M+H-H2O]+ 458.76838 191.4
[M+HCOO]- 520.76932 175.0
[M+CH3COO]- 534.78497 230.5
[M+Na-2H]- 496.74579 178.0
[M]+ 475.77057 215.9
[M]- 475.77167 215.9
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.