CID 15445116

Rac-(2r,3s)-3-bromo-2-ethynyloxane, trans

Structural Information

Molecular Formula
C7H9BrO
SMILES
C#C[C@H]1[C@@H](CCCO1)Br
InChI
InChI=1S/C7H9BrO/c1-2-7-6(8)4-3-5-9-7/h1,6-7H,3-5H2/t6-,7+/m1/s1
InChIKey
LELAMTWYZQJKRH-RQJHMYQMSA-N
Compound name
(2S,3R)-3-bromo-2-ethynyloxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.98367 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.99095 126.7
[M+Na]+ 210.97289 139.3
[M-H]- 186.97639 130.7
[M+NH4]+ 206.01749 146.5
[M+K]+ 226.94683 129.0
[M+H-H2O]+ 170.98093 121.7
[M+HCOO]- 232.98187 142.1
[M+CH3COO]- 246.99752 187.1
[M+Na-2H]- 208.95834 134.0
[M]+ 187.98312 135.8
[M]- 187.98422 135.8
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.