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]+ 210.03163 140.6
[M+Na]+ 232.01357 150.6
[M-H]- 208.01707 146.8
[M+NH4]+ 227.05817 159.3
[M+K]+ 247.98751 147.9
[M+H-H2O]+ 192.02161 133.9
[M+HCOO]- 254.02255 160.6
[M+CH3COO]- 268.03820 154.8
[M+Na-2H]- 229.99902 147.7
[M]+ 209.02380 145.3
[M]- 209.02490 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.