CID 14327211

2-(oxolan-2-yl)acetyl chloride

Structural Information

Molecular Formula
C6H9ClO2
SMILES
C1CC(OC1)CC(=O)Cl
InChI
InChI=1S/C6H9ClO2/c7-6(8)4-5-2-1-3-9-5/h5H,1-4H2
InChIKey
AQOAAQUHILXVHR-UHFFFAOYSA-N
Compound name
2-(oxolan-2-yl)acetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 129.2
[M+Na]+ 171.01833 136.4
[M-H]- 147.02183 132.8
[M+NH4]+ 166.06293 151.4
[M+K]+ 186.99227 135.5
[M+H-H2O]+ 131.02637 125.1
[M+HCOO]- 193.02731 146.5
[M+CH3COO]- 207.04296 170.9
[M+Na-2H]- 169.00378 133.9
[M]+ 148.02856 129.6
[M]- 148.02966 129.6
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