CID 201548

1-chloro-1-ethynylcyclohexane

Structural Information

Molecular Formula
C8H11Cl
SMILES
C#CC1(CCCCC1)Cl
InChI
InChI=1S/C8H11Cl/c1-2-8(9)6-4-3-5-7-8/h1H,3-7H2
InChIKey
GBHYSRYVIVDDHC-UHFFFAOYSA-N
Compound name
1-chloro-1-ethynylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

142.05493 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.062206 128.0
[M+Na]+ 165.044148 138.2
[M-H]- 141.047654 130.3
[M+NH4]+ 160.088753 149.9
[M+K]+ 181.018088 132.2
[M+H-H2O]+ 125.052190 118.8
[M+HCOO]- 187.053131 139.5
[M+CH3COO]- 201.068781 180.6
[M+Na-2H]- 163.029596 133.9
[M]+ 142.05438142 120.1
[M]- 142.05547858 120.1
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