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

0
Patents

212.06041 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.06769 145.1
[M+Na]+ 235.04963 152.6
[M-H]- 211.05313 151.9
[M+NH4]+ 230.09423 164.9
[M+K]+ 251.02357 150.1
[M+H-H2O]+ 195.05767 139.5
[M+HCOO]- 257.05861 163.2
[M+CH3COO]- 271.07426 182.6
[M+Na-2H]- 233.03508 149.8
[M]+ 212.05986 146.8
[M]- 212.06096 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

No patent data available for this compound.