CID 165980863

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

Structural Information

Molecular Formula
C10H7Cl2NO
SMILES
C1=CC(=CC=C1C2=CON=C2CCl)Cl
InChI
InChI=1S/C10H7Cl2NO/c11-5-10-9(6-14-13-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChIKey
PBAYURCLRZOWCE-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-4-(4-chlorophenyl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99046 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.99774 145.0
[M+Na]+ 249.97968 156.2
[M-H]- 225.98318 150.5
[M+NH4]+ 245.02428 163.6
[M+K]+ 265.95362 151.6
[M+H-H2O]+ 209.98772 138.9
[M+HCOO]- 271.98866 159.3
[M+CH3COO]- 286.00431 158.7
[M+Na-2H]- 247.96513 150.3
[M]+ 226.98991 149.6
[M]- 226.99101 149.6
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.