CID 8027209

57245-31-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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

No literature data available for this compound.

Patent stripe

patents stripe