CID 75360953

5-chloro-3-(2-methoxyphenyl)-1,2-oxazole

Structural Information

Molecular Formula
C10H8ClNO2
SMILES
COC1=CC=CC=C1C2=NOC(=C2)Cl
InChI
InChI=1S/C10H8ClNO2/c1-13-9-5-3-2-4-7(9)8-6-10(11)14-12-8/h2-6H,1H3
InChIKey
DXRZDIVHXMGYHS-UHFFFAOYSA-N
Compound name
5-chloro-3-(2-methoxyphenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.02435 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.031626 140.5
[M+Na]+ 232.013568 151.4
[M-H]- 208.017074 147.1
[M+NH4]+ 227.058173 159.5
[M+K]+ 247.987508 148.7
[M+H-H2O]+ 192.021610 134.1
[M+HCOO]- 254.022551 160.5
[M+CH3COO]- 268.038201 182.6
[M+Na-2H]- 229.999016 146.9
[M]+ 209.02380142 145.6
[M]- 209.02489858 145.6
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.