CID 60987377

4-(chloromethyl)-2-(4-iodophenyl)-1,3-oxazole

Structural Information

Molecular Formula
C10H7ClINO
SMILES
C1=CC(=CC=C1C2=NC(=CO2)CCl)I
InChI
InChI=1S/C10H7ClINO/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
YBVVKNSKEJVTSG-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(4-iodophenyl)-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

318.9261 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.93338 148.2
[M+Na]+ 341.91532 151.7
[M-H]- 317.91882 147.2
[M+NH4]+ 336.95992 162.1
[M+K]+ 357.88926 154.0
[M+H-H2O]+ 301.92336 138.2
[M+HCOO]- 363.92430 162.8
[M+CH3COO]- 377.93995 158.0
[M+Na-2H]- 339.90077 142.4
[M]+ 318.92555 149.1
[M]- 318.92665 149.1
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