CID 90360

1-octyne, 8-chloro-

Structural Information

Molecular Formula
C8H13Cl
SMILES
C#CCCCCCCCl
InChI
InChI=1S/C8H13Cl/c1-2-3-4-5-6-7-8-9/h1H,3-8H2
InChIKey
HQHUHJPIECZMCX-UHFFFAOYSA-N
Compound name
8-chlorooct-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

144.07057 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07785 126.9
[M+Na]+ 167.05979 136.9
[M-H]- 143.06329 126.5
[M+NH4]+ 162.10439 147.3
[M+K]+ 183.03373 132.8
[M+H-H2O]+ 127.06783 117.6
[M+HCOO]- 189.06877 140.8
[M+CH3COO]- 203.08442 184.5
[M+Na-2H]- 165.04524 132.5
[M]+ 144.07002 124.8
[M]- 144.07112 124.8
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