CID 5363854

2-oxazolin-5-one, 4-(o-chlorobenzylidene)-2-methyl-

Structural Information

Molecular Formula
C11H8ClNO2
SMILES
CC1=N/C(=C\C2=CC=CC=C2Cl)/C(=O)O1
InChI
InChI=1S/C11H8ClNO2/c1-7-13-10(11(14)15-7)6-8-4-2-3-5-9(8)12/h2-6H,1H3/b10-6-
InChIKey
YLWUTHYVSMAJES-POHAHGRESA-N
Compound name
(4Z)-4-[(2-chlorophenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

221.02435 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03163 145.1
[M+Na]+ 244.01357 156.2
[M-H]- 220.01707 151.7
[M+NH4]+ 239.05817 163.8
[M+K]+ 259.98751 152.2
[M+H-H2O]+ 204.02161 139.0
[M+HCOO]- 266.02255 163.7
[M+CH3COO]- 280.03820 184.8
[M+Na-2H]- 241.99902 149.3
[M]+ 221.02380 148.1
[M]- 221.02490 148.1
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