CID 584273

6-bromohex-1-yne

Structural Information

Molecular Formula
C6H9Br
SMILES
C#CCCCCBr
InChI
InChI=1S/C6H9Br/c1-2-3-4-5-6-7/h1H,3-6H2
InChIKey
WDNFOERVYIUQPG-UHFFFAOYSA-N
Compound name
6-bromohex-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

224
Patents

159.98875 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 121.0
[M+Na]+ 182.97797 134.3
[M-H]- 158.98147 122.5
[M+NH4]+ 178.02257 143.0
[M+K]+ 198.95191 123.7
[M+H-H2O]+ 142.98601 116.3
[M+HCOO]- 204.98695 139.5
[M+CH3COO]- 219.00260 185.4
[M+Na-2H]- 180.96342 129.1
[M]+ 159.98820 133.4
[M]- 159.98930 133.4
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

patents stripe