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]+ 210.03163 140.5
[M+Na]+ 232.01357 151.4
[M-H]- 208.01707 147.1
[M+NH4]+ 227.05817 159.5
[M+K]+ 247.98751 148.7
[M+H-H2O]+ 192.02161 134.1
[M+HCOO]- 254.02255 160.5
[M+CH3COO]- 268.03820 182.6
[M+Na-2H]- 229.99902 146.9
[M]+ 209.02380 145.6
[M]- 209.02490 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.