CID 14176257

7-amino-6-chloro-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C8H7ClN2O2
SMILES
C1C(=O)NC2=C(O1)C=C(C(=C2)Cl)N
InChI
InChI=1S/C8H7ClN2O2/c9-4-1-6-7(2-5(4)10)13-3-8(12)11-6/h1-2H,3,10H2,(H,11,12)
InChIKey
RXHIJDUZDJCOAG-UHFFFAOYSA-N
Compound name
7-amino-6-chloro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

198.0196 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.026876 138.2
[M+Na]+ 221.008818 148.1
[M-H]- 197.012324 140.5
[M+NH4]+ 216.053423 155.9
[M+K]+ 236.982758 144.2
[M+H-H2O]+ 181.016860 132.8
[M+HCOO]- 243.017801 152.8
[M+CH3COO]- 257.033451 150.9
[M+Na-2H]- 218.994266 145.2
[M]+ 198.01905142 136.7
[M]- 198.02014858 136.7
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