CID 1550149

3237-71-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe