CID 71654297

Pent-4-yn-1-yl carbonochloridate

Structural Information

Molecular Formula
C6H7ClO2
SMILES
C#CCCCOC(=O)Cl
InChI
InChI=1S/C6H7ClO2/c1-2-3-4-5-9-6(7)8/h1H,3-5H2
InChIKey
RDTJQRVLNZOHEL-UHFFFAOYSA-N
Compound name
pent-4-ynyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

146.01346 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.02074 123.4
[M+Na]+ 169.00268 134.5
[M+NH4]+ 164.04728 127.9
[M+K]+ 184.97662 126.2
[M-H]- 145.00618 114.9
[M+Na-2H]- 166.98813 125.1
[M]+ 146.01291 121.8
[M]- 146.01401 121.8
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