CID 64159867

5-(chloromethyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole

Structural Information

Molecular Formula
C10H9Cl2NO
SMILES
C1C(ON=C1C2=CC=C(C=C2)Cl)CCl
InChI
InChI=1S/C10H9Cl2NO/c11-6-9-5-10(13-14-9)7-1-3-8(12)4-2-7/h1-4,9H,5-6H2
InChIKey
GHCJAMIKIJZDLV-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.00612 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01340 146.8
[M+Na]+ 251.99534 157.0
[M-H]- 227.99884 152.0
[M+NH4]+ 247.03994 165.3
[M+K]+ 267.96928 152.5
[M+H-H2O]+ 212.00338 140.7
[M+HCOO]- 274.00432 159.7
[M+CH3COO]- 288.01997 159.9
[M+Na-2H]- 249.98079 151.1
[M]+ 229.00557 149.9
[M]- 229.00667 149.9
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.