CID 14651329

3-[4-(chloromethyl)phenoxy]oxolane

Structural Information

Molecular Formula
C11H13ClO2
SMILES
C1COCC1OC2=CC=C(C=C2)CCl
InChI
InChI=1S/C11H13ClO2/c12-7-9-1-3-10(4-2-9)14-11-5-6-13-8-11/h1-4,11H,5-8H2
InChIKey
FUUOAIKCEFOQRM-UHFFFAOYSA-N
Compound name
3-[4-(chloromethyl)phenoxy]oxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

212.06041 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.067686 145.1
[M+Na]+ 235.049628 152.6
[M-H]- 211.053134 151.9
[M+NH4]+ 230.094233 164.9
[M+K]+ 251.023568 150.1
[M+H-H2O]+ 195.057670 139.5
[M+HCOO]- 257.058611 163.2
[M+CH3COO]- 271.074261 182.6
[M+Na-2H]- 233.035076 149.8
[M]+ 212.05986142 146.8
[M]- 212.06095858 146.8
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