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

343
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

literature stripe

Patent stripe

patents stripe