CID 20307116

Oxane-3-carbonyl chloride

Structural Information

Molecular Formula
C6H9ClO2
SMILES
C1CC(COC1)C(=O)Cl
InChI
InChI=1S/C6H9ClO2/c7-6(8)5-2-1-3-9-4-5/h5H,1-4H2
InChIKey
AVCXUTJRMZPYBY-UHFFFAOYSA-N
Compound name
oxane-3-carbonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

148.02911 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 127.1
[M+Na]+ 171.01833 133.4
[M-H]- 147.02183 130.6
[M+NH4]+ 166.06293 147.5
[M+K]+ 186.99227 132.8
[M+H-H2O]+ 131.02637 122.8
[M+HCOO]- 193.02731 142.4
[M+CH3COO]- 207.04296 171.2
[M+Na-2H]- 169.00378 133.2
[M]+ 148.02856 125.6
[M]- 148.02966 125.6
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