CID 3356829

Propargyl chloroformate

Structural Information

Molecular Formula
C4H3ClO2
SMILES
C#CCOC(=O)Cl
InChI
InChI=1S/C4H3ClO2/c1-2-3-7-4(5)6/h1H,3H2
InChIKey
RAMTXCRMKBFPRG-UHFFFAOYSA-N
Compound name
prop-2-ynyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

904
Patents

117.982155 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.98943 116.0
[M+Na]+ 140.97137 127.5
[M-H]- 116.97488 116.4
[M+NH4]+ 136.01598 137.1
[M+K]+ 156.94531 125.1
[M+H-H2O]+ 100.97942 107.2
[M+HCOO]- 162.98036 130.8
[M+CH3COO]- 176.99601 176.3
[M+Na-2H]- 138.95682 122.3
[M]+ 117.98161 113.8
[M]- 117.98270 113.8
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