CID 4962799

3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1=COC(=C1)C2=CC(=NO2)CCl
InChI
InChI=1S/C8H6ClNO2/c9-5-6-4-8(12-10-6)7-2-1-3-11-7/h1-4H,5H2
InChIKey
IPIMDVOPXIOKAK-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(furan-2-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.00871 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.015986 133.1
[M+Na]+ 205.997928 144.8
[M-H]- 182.001434 140.5
[M+NH4]+ 201.042533 153.4
[M+K]+ 221.971868 143.7
[M+H-H2O]+ 166.005970 127.8
[M+HCOO]- 228.006911 154.7
[M+CH3COO]- 242.022561 148.9
[M+Na-2H]- 203.983376 140.2
[M]+ 183.00816142 139.8
[M]- 183.00925858 139.8
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

patents stripe