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

40
Patents

183.00871 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 132.4
[M+Na]+ 205.99793 142.2
[M-H]- 182.00143 134.9
[M+NH4]+ 201.04253 151.1
[M+K]+ 221.97187 138.8
[M+H-H2O]+ 166.00597 127.1
[M+HCOO]- 228.00691 146.6
[M+CH3COO]- 242.02256 145.7
[M+Na-2H]- 203.98338 141.0
[M]+ 183.00816 132.1
[M]- 183.00926 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