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 124.2
[M+Na]+ 169.00268 135.0
[M-H]- 145.00618 124.2
[M+NH4]+ 164.04728 144.3
[M+K]+ 184.97662 132.1
[M+H-H2O]+ 129.01072 115.0
[M+HCOO]- 191.01166 138.4
[M+CH3COO]- 205.02731 181.7
[M+Na-2H]- 166.98813 129.5
[M]+ 146.01291 122.6
[M]- 146.01401 122.6
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