CID 37859623

1042973-67-0

Structural Information

Molecular Formula
C8H7ClN2O2
SMILES
C1C(=O)NC2=CC(=CC(=C2O1)N)Cl
InChI
InChI=1S/C8H7ClN2O2/c9-4-1-5(10)8-6(2-4)11-7(12)3-13-8/h1-2H,3,10H2,(H,11,12)
InChIKey
LFQDPHSIICCBLE-UHFFFAOYSA-N
Compound name
8-amino-6-chloro-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

198.0196 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.02688 138.2
[M+Na]+ 221.00882 148.1
[M-H]- 197.01232 140.5
[M+NH4]+ 216.05342 155.9
[M+K]+ 236.98276 144.2
[M+H-H2O]+ 181.01686 132.8
[M+HCOO]- 243.01780 152.8
[M+CH3COO]- 257.03345 150.9
[M+Na-2H]- 218.99427 145.2
[M]+ 198.01905 136.7
[M]- 198.02015 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