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

13
Patents

148.02911 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 129.2
[M+Na]+ 171.018328 136.4
[M-H]- 147.021834 132.8
[M+NH4]+ 166.062933 151.4
[M+K]+ 186.992268 135.5
[M+H-H2O]+ 131.026370 125.1
[M+HCOO]- 193.027311 146.5
[M+CH3COO]- 207.042961 170.9
[M+Na-2H]- 169.003776 133.9
[M]+ 148.02856142 129.6
[M]- 148.02965858 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