CID 105514916

1785003-58-8

Structural Information

Molecular Formula
C7H4BrClN2O2
SMILES
C1C(=O)NC2=NC(=C(C=C2O1)Br)Cl
InChI
InChI=1S/C7H4BrClN2O2/c8-3-1-4-7(11-6(3)9)10-5(12)2-13-4/h1H,2H2,(H,10,11,12)
InChIKey
IUFNMDAEJIJRKF-UHFFFAOYSA-N
Compound name
7-bromo-6-chloro-4H-pyrido[3,2-b][1,4]oxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.91446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.92174 141.2
[M+Na]+ 284.90368 155.1
[M-H]- 260.90718 145.4
[M+NH4]+ 279.94828 159.4
[M+K]+ 300.87762 143.3
[M+H-H2O]+ 244.91172 141.5
[M+HCOO]- 306.91266 152.5
[M+CH3COO]- 320.92831 155.7
[M+Na-2H]- 282.88913 150.4
[M]+ 261.91391 160.1
[M]- 261.91501 160.1
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

No patent data available for this compound.