CID 1484769

3-(chloromethyl)-5-phenyl-1,2-oxazole

Structural Information

Molecular Formula
C10H8ClNO
SMILES
C1=CC=C(C=C1)C2=CC(=NO2)CCl
InChI
InChI=1S/C10H8ClNO/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
MLJJRVMANUGETQ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-phenyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

193.02943 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03671 137.7
[M+Na]+ 216.01865 147.8
[M-H]- 192.02215 143.9
[M+NH4]+ 211.06325 157.2
[M+K]+ 231.99259 144.6
[M+H-H2O]+ 176.02669 131.2
[M+HCOO]- 238.02763 157.5
[M+CH3COO]- 252.04328 152.1
[M+Na-2H]- 214.00410 144.8
[M]+ 193.02888 141.0
[M]- 193.02998 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe