CID 556925

6-bromohex-2-yne

Structural Information

Molecular Formula
C6H9Br
SMILES
CC#CCCCBr
InChI
InChI=1S/C6H9Br/c1-2-3-4-5-6-7/h4-6H2,1H3
InChIKey
SRGQSRAWFLVYQN-UHFFFAOYSA-N
Compound name
6-bromohex-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

159.98875 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.99603 121.3
[M+Na]+ 182.97797 134.7
[M-H]- 158.98147 122.8
[M+NH4]+ 178.02257 143.3
[M+K]+ 198.95191 124.0
[M+H-H2O]+ 142.98601 116.6
[M+HCOO]- 204.98695 139.8
[M+CH3COO]- 219.00260 184.9
[M+Na-2H]- 180.96342 129.3
[M]+ 159.98820 133.6
[M]- 159.98930 133.6
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

patents stripe