CID 71683202

1171967-42-2

Structural Information

Molecular Formula
C7H11ClO3
SMILES
C1COCCC1COC(=O)Cl
InChI
InChI=1S/C7H11ClO3/c8-7(9)11-5-6-1-3-10-4-2-6/h6H,1-5H2
InChIKey
RTLJEJIZQVVBJA-UHFFFAOYSA-N
Compound name
oxan-4-ylmethyl carbonochloridate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03967 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.046946 134.6
[M+Na]+ 201.028888 140.6
[M-H]- 177.032394 138.0
[M+NH4]+ 196.073493 153.9
[M+K]+ 217.002828 140.2
[M+H-H2O]+ 161.036930 130.0
[M+HCOO]- 223.037871 149.9
[M+CH3COO]- 237.053521 175.6
[M+Na-2H]- 199.014336 140.3
[M]+ 178.03912142 134.9
[M]- 178.04021858 134.9
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.