CID 504664

Chembl420389

Structural Information

Molecular Formula
C10H7Cl2NO3
SMILES
CCOC1=NC2=C(C=CC(=C2C(=O)O1)Cl)Cl
InChI
InChI=1S/C10H7Cl2NO3/c1-2-15-10-13-8-6(12)4-3-5(11)7(8)9(14)16-10/h3-4H,2H2,1H3
InChIKey
MTCHUPSYKUKIOI-UHFFFAOYSA-N
Compound name
5,8-dichloro-2-ethoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.9803 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.98758 146.9
[M+Na]+ 281.96952 160.2
[M-H]- 257.97302 151.2
[M+NH4]+ 277.01412 164.4
[M+K]+ 297.94346 156.4
[M+H-H2O]+ 241.97756 141.7
[M+HCOO]- 303.97850 159.8
[M+CH3COO]- 317.99415 192.8
[M+Na-2H]- 279.95497 154.6
[M]+ 258.97975 155.3
[M]- 258.98085 155.3
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

No patent data available for this compound.