CID 24092

Chlordiethynol

Structural Information

Molecular Formula
C7H11ClO
SMILES
CCC(CC)(C#CCl)O
InChI
InChI=1S/C7H11ClO/c1-3-7(9,4-2)5-6-8/h9H,3-4H2,1-2H3
InChIKey
UBASENLXRNMXCM-UHFFFAOYSA-N
Compound name
1-chloro-3-ethylpent-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.04984 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05712 130.7
[M+Na]+ 169.03906 141.0
[M-H]- 145.04256 129.7
[M+NH4]+ 164.08366 150.5
[M+K]+ 185.01300 137.3
[M+H-H2O]+ 129.04710 122.2
[M+HCOO]- 191.04804 142.3
[M+CH3COO]- 205.06369 180.6
[M+Na-2H]- 167.02451 136.4
[M]+ 146.04929 127.2
[M]- 146.05039 127.2
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

No patent data available for this compound.