CID 21411184

3-(2-chloroethyl)oxolane

Structural Information

Molecular Formula
C6H11ClO
SMILES
C1COCC1CCCl
InChI
InChI=1S/C6H11ClO/c7-3-1-6-2-4-8-5-6/h6H,1-5H2
InChIKey
UAPVJCWLMFDSPP-UHFFFAOYSA-N
Compound name
3-(2-chloroethyl)oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

134.04984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.05712 127.1
[M+Na]+ 157.03906 134.4
[M-H]- 133.04256 130.6
[M+NH4]+ 152.08366 150.1
[M+K]+ 173.01300 133.2
[M+H-H2O]+ 117.04710 123.0
[M+HCOO]- 179.04804 145.0
[M+CH3COO]- 193.06369 169.1
[M+Na-2H]- 155.02451 133.0
[M]+ 134.04929 127.4
[M]- 134.05039 127.4
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