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

3
Patents

134.04984 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.057116 127.1
[M+Na]+ 157.039058 134.4
[M-H]- 133.042564 130.6
[M+NH4]+ 152.083663 150.1
[M+K]+ 173.012998 133.2
[M+H-H2O]+ 117.047100 123.0
[M+HCOO]- 179.048041 145.0
[M+CH3COO]- 193.063691 169.1
[M+Na-2H]- 155.024506 133.0
[M]+ 134.04929142 127.4
[M]- 134.05038858 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