CID 80463282

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

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1=COC=C1C2=CC(=NO2)CCl
InChI
InChI=1S/C8H6ClNO2/c9-4-7-3-8(12-10-7)6-1-2-11-5-6/h1-3,5H,4H2
InChIKey
IWWQZPUVVWHAKW-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(furan-3-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.00871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 133.1
[M+Na]+ 205.99793 144.8
[M-H]- 182.00143 140.5
[M+NH4]+ 201.04253 153.4
[M+K]+ 221.97187 143.7
[M+H-H2O]+ 166.00597 127.8
[M+HCOO]- 228.00691 154.7
[M+CH3COO]- 242.02256 148.9
[M+Na-2H]- 203.98338 140.2
[M]+ 183.00816 139.8
[M]- 183.00926 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

No patent data available for this compound.