CID 165772781

4-bromohex-1-yne

Structural Information

Molecular Formula
C6H9Br
SMILES
CCC(CC#C)Br
InChI
InChI=1S/C6H9Br/c1-3-5-6(7)4-2/h1,6H,4-5H2,2H3
InChIKey
BNQGWWAOHWYBOK-UHFFFAOYSA-N
Compound name
4-bromohex-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.98875 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 122.6
[M+Na]+ 182.97797 135.7
[M-H]- 158.98147 124.1
[M+NH4]+ 178.02257 144.5
[M+K]+ 198.95191 125.3
[M+H-H2O]+ 142.98601 117.9
[M+HCOO]- 204.98695 140.2
[M+CH3COO]- 219.00260 186.1
[M+Na-2H]- 180.96342 129.4
[M]+ 159.98820 134.3
[M]- 159.98930 134.3
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.