CID 10997626

2-chloro-5-phenyl-1,3-oxazole

Structural Information

Molecular Formula
C9H6ClNO
SMILES
C1=CC=C(C=C1)C2=CN=C(O2)Cl
InChI
InChI=1S/C9H6ClNO/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-6H
InChIKey
RQAIEHDXUZPMBJ-UHFFFAOYSA-N
Compound name
2-chloro-5-phenyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

137
Patents

179.0138 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.02108 132.9
[M+Na]+ 202.00302 143.5
[M-H]- 178.00652 139.3
[M+NH4]+ 197.04762 152.9
[M+K]+ 217.97696 140.5
[M+H-H2O]+ 162.01106 126.7
[M+HCOO]- 224.01200 153.0
[M+CH3COO]- 238.02765 147.8
[M+Na-2H]- 199.98847 140.6
[M]+ 179.01325 135.9
[M]- 179.01435 135.9
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