CID 524394

3-chlorooxolane

Structural Information

Molecular Formula
C4H7ClO
SMILES
C1COCC1Cl
InChI
InChI=1S/C4H7ClO/c5-4-1-2-6-3-4/h4H,1-3H2
InChIKey
FPHNWFFKQCPXPI-UHFFFAOYSA-N
Compound name
3-chlorooxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

388
Patents

106.01854 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.02582 117.6
[M+Na]+ 129.00776 125.6
[M-H]- 105.01126 121.4
[M+NH4]+ 124.05236 141.6
[M+K]+ 144.98170 125.0
[M+H-H2O]+ 89.015800 113.9
[M+HCOO]- 151.01674 136.1
[M+CH3COO]- 165.03239 163.0
[M+Na-2H]- 126.99321 124.6
[M]+ 106.01799 117.1
[M]- 106.01909 117.1
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.