CID 63937316

4-(2-chloroethyl)oxane

Structural Information

Molecular Formula
C7H13ClO
SMILES
C1COCCC1CCCl
InChI
InChI=1S/C7H13ClO/c8-4-1-7-2-5-9-6-3-7/h7H,1-6H2
InChIKey
JYHQKKQUFZIKMD-UHFFFAOYSA-N
Compound name
4-(2-chloroethyl)oxane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

148.06549 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.07277 130.1
[M+Na]+ 171.05471 136.0
[M-H]- 147.05821 133.3
[M+NH4]+ 166.09931 150.7
[M+K]+ 187.02865 134.8
[M+H-H2O]+ 131.06275 125.6
[M+HCOO]- 193.06369 145.6
[M+CH3COO]- 207.07934 172.3
[M+Na-2H]- 169.04016 136.9
[M]+ 148.06494 128.8
[M]- 148.06604 128.8
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