CID 23061577

89181-22-6

Structural Information

Molecular Formula
C5H9ClO
SMILES
C1COCC1CCl
InChI
InChI=1S/C5H9ClO/c6-3-5-1-2-7-4-5/h5H,1-4H2
InChIKey
JXGGGHUVTCFNRZ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

120.034195 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.04147 122.4
[M+Na]+ 143.02341 130.0
[M-H]- 119.02692 126.0
[M+NH4]+ 138.06802 145.9
[M+K]+ 158.99735 129.1
[M+H-H2O]+ 103.03146 118.4
[M+HCOO]- 165.03240 140.5
[M+CH3COO]- 179.04805 166.0
[M+Na-2H]- 141.00886 128.8
[M]+ 120.03365 122.3
[M]- 120.03474 122.3
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