CID 1551497

(z)-4-(2-chlorobenzylidene)-2-phenyloxazol-5(4h)-one

Structural Information

Molecular Formula
C16H10ClNO2
SMILES
C1=CC=C(C=C1)C2=N/C(=C\C3=CC=CC=C3Cl)/C(=O)O2
InChI
InChI=1S/C16H10ClNO2/c17-13-9-5-4-8-12(13)10-14-16(19)20-15(18-14)11-6-2-1-3-7-11/h1-10H/b14-10-
InChIKey
JACSENVPDSAIKG-UVTDQMKNSA-N
Compound name
(4Z)-4-[(2-chlorophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.04 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.04728 163.2
[M+Na]+ 306.02922 173.4
[M-H]- 282.03272 172.6
[M+NH4]+ 301.07382 178.8
[M+K]+ 322.00316 167.8
[M+H-H2O]+ 266.03726 155.2
[M+HCOO]- 328.03820 181.4
[M+CH3COO]- 342.05385 176.0
[M+Na-2H]- 304.01467 166.6
[M]+ 283.03945 165.5
[M]- 283.04055 165.5
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