CID 1728690

20345-11-3

Structural Information

Molecular Formula
C16H9ClN2O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=N/C(=C/C3=CC=C(C=C3)Cl)/C(=O)O2
InChI
InChI=1S/C16H9ClN2O4/c17-12-6-4-10(5-7-12)8-14-16(20)23-15(18-14)11-2-1-3-13(9-11)19(21)22/h1-9H/b14-8+
InChIKey
DUZQLPOBIFJRHM-RIYZIHGNSA-N
Compound name
(4E)-4-[(4-chlorophenyl)methylidene]-2-(3-nitrophenyl)-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

328.0251 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.03238 175.2
[M+Na]+ 351.01432 183.5
[M-H]- 327.01782 184.6
[M+NH4]+ 346.05892 187.7
[M+K]+ 366.98826 174.6
[M+H-H2O]+ 311.02236 171.5
[M+HCOO]- 373.02330 194.1
[M+CH3COO]- 387.03895 198.5
[M+Na-2H]- 348.99977 179.4
[M]+ 328.02455 176.4
[M]- 328.02565 176.4
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