CID 164735137

(2r,3ar,5s,6r,7ar)-6-bromo-2-[(z)-1-bromohex-3-en-5-ynyl]-5-ethyl-3,3a,5,6,7,7a-hexahydro-2h-furo[3,2-b]pyran

Structural Information

Molecular Formula
C15H20Br2O2
SMILES
CC[C@H]1[C@@H](C[C@@H]2[C@H](O1)C[C@@H](O2)C(C/C=C\C#C)Br)Br
InChI
InChI=1S/C15H20Br2O2/c1-3-5-6-7-10(16)13-9-15-14(19-13)8-11(17)12(4-2)18-15/h1,5-6,10-15H,4,7-9H2,2H3/b6-5-/t10?,11-,12+,13-,14-,15-/m1/s1
InChIKey
GJRKLLLBUNEOJO-WWUNOODYSA-N
Compound name
(2R,3aR,5S,6R,7aR)-6-bromo-2-[(Z)-1-bromohex-3-en-5-ynyl]-5-ethyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.983 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.99028 162.5
[M+Na]+ 412.97222 173.6
[M-H]- 388.97572 166.1
[M+NH4]+ 408.01682 177.3
[M+K]+ 428.94616 157.7
[M+H-H2O]+ 372.98026 165.0
[M+HCOO]- 434.98120 172.1
[M+CH3COO]- 448.99685 220.9
[M+Na-2H]- 410.95767 164.3
[M]+ 389.98245 188.0
[M]- 389.98355 188.0
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.