CID 45157087

4-(chloromethyl)-2-phenoxy-1,3-oxazole

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
C1=CC=C(C=C1)OC2=NC(=CO2)CCl
InChI
InChI=1S/C10H8ClNO2/c11-6-8-7-13-10(12-8)14-9-4-2-1-3-5-9/h1-5,7H,6H2
InChIKey
LGUKWEWQYMUBKC-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-phenoxy-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02435 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 140.6
[M+Na]+ 232.013568 150.6
[M-H]- 208.017074 146.8
[M+NH4]+ 227.058173 159.3
[M+K]+ 247.987508 147.9
[M+H-H2O]+ 192.021610 133.9
[M+HCOO]- 254.022551 160.6
[M+CH3COO]- 268.038201 154.8
[M+Na-2H]- 229.999016 147.7
[M]+ 209.02380142 145.3
[M]- 209.02489858 145.3
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.