CID 479933

(4s,6s,8s,9s)-4,8-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-ene

Structural Information

Molecular Formula
C15H23Br2Cl
SMILES
CC1=CC[C@@H](C([C@]12CC[C@]([C@H](C2)Br)(C)Cl)(C)C)Br
InChI
InChI=1S/C15H23Br2Cl/c1-10-5-6-11(16)13(2,3)15(10)8-7-14(4,18)12(17)9-15/h5,11-12H,6-9H2,1-4H3/t11-,12-,14-,15-/m0/s1
InChIKey
ZPXHDWNADVHCRP-JURCDPSOSA-N
Compound name
(4S,6S,9S,10S)-4,10-dibromo-9-chloro-1,5,5,9-tetramethylspiro[5.5]undec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.9855 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.99278 162.2
[M+Na]+ 418.97472 173.5
[M-H]- 394.97822 170.6
[M+NH4]+ 414.01932 184.5
[M+K]+ 434.94866 156.8
[M+H-H2O]+ 378.98276 173.1
[M+HCOO]- 440.98370 169.5
[M+CH3COO]- 454.99935 217.3
[M+Na-2H]- 416.96017 167.0
[M]+ 395.98495 195.0
[M]- 395.98605 195.0
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.