CID 135450466

Nsc682580

Structural Information

Molecular Formula
C16H10ClNO3
SMILES
C1=CC=C2C(=C1)N=C(C(=O)O2)/C=C(/C3=CC=C(C=C3)Cl)\O
InChI
InChI=1S/C16H10ClNO3/c17-11-7-5-10(6-8-11)14(19)9-13-16(20)21-15-4-2-1-3-12(15)18-13/h1-9,19H/b14-9-
InChIKey
BANXOUCTIGXFDK-ZROIWOOFSA-N
Compound name
3-[(Z)-2-(4-chlorophenyl)-2-hydroxyethenyl]-1,4-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

299.0349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04218 163.9
[M+Na]+ 322.02412 174.4
[M-H]- 298.02762 170.0
[M+NH4]+ 317.06872 177.6
[M+K]+ 337.99806 168.9
[M+H-H2O]+ 282.03216 156.2
[M+HCOO]- 344.03310 179.0
[M+CH3COO]- 358.04875 175.8
[M+Na-2H]- 320.00957 170.5
[M]+ 299.03435 167.3
[M]- 299.03545 167.3
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

No patent data available for this compound.