CID 309259

6-chloro-2h-1,4-benzoxazin-3(4h)-one

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)Cl
InChI
InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11)
InChIKey
OBPIPKQQNRACHV-UHFFFAOYSA-N
Compound name
6-chloro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

190
Patents

183.00871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.015986 132.4
[M+Na]+ 205.997928 142.2
[M-H]- 182.001434 134.9
[M+NH4]+ 201.042533 151.1
[M+K]+ 221.971868 138.8
[M+H-H2O]+ 166.005970 127.1
[M+HCOO]- 228.006911 146.6
[M+CH3COO]- 242.022561 145.7
[M+Na-2H]- 203.983376 141.0
[M]+ 183.00816142 132.1
[M]- 183.00925858 132.1
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