CID 2757087

1-bromo-2-octyne

Structural Information

Molecular Formula
C8H13Br
SMILES
CCCCCC#CCBr
InChI
InChI=1S/C8H13Br/c1-2-3-4-5-6-7-8-9/h2-5,8H2,1H3
InChIKey
QKPBYOBXEXNWOA-UHFFFAOYSA-N
Compound name
1-bromooct-2-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

233
Patents

188.02007 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.02735 135.6
[M+Na]+ 211.00929 138.6
[M+NH4]+ 206.05389 137.9
[M+K]+ 226.98323 134.6
[M-H]- 187.01279 128.3
[M+Na-2H]- 208.99474 135.3
[M]+ 188.01952 132.2
[M]- 188.02062 132.2
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