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]+ 179.04695 134.6
[M+Na]+ 201.02889 140.6
[M-H]- 177.03239 138.0
[M+NH4]+ 196.07349 153.9
[M+K]+ 217.00283 140.2
[M+H-H2O]+ 161.03693 130.0
[M+HCOO]- 223.03787 149.9
[M+CH3COO]- 237.05352 175.6
[M+Na-2H]- 199.01434 140.3
[M]+ 178.03912 134.9
[M]- 178.04022 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.