CID 84043250

3-bromo-5h,6h,7h-pyrazolo[3,2-b][1,3]oxazine-2-carbaldehyde

Structural Information

Molecular Formula
C7H7BrN2O2
SMILES
C1CN2C(=C(C(=N2)C=O)Br)OC1
InChI
InChI=1S/C7H7BrN2O2/c8-6-5(4-11)9-10-2-1-3-12-7(6)10/h4H,1-3H2
InChIKey
LCUPFBNRDQQYFJ-UHFFFAOYSA-N
Compound name
3-bromo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.96909 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.976366 139.6
[M+Na]+ 252.958308 152.4
[M-H]- 228.961814 144.9
[M+NH4]+ 248.002913 160.4
[M+K]+ 268.932248 143.4
[M+H-H2O]+ 212.966350 139.5
[M+HCOO]- 274.967291 157.5
[M+CH3COO]- 288.982941 184.6
[M+Na-2H]- 250.943756 147.5
[M]+ 229.96854142 158.7
[M]- 229.96963858 158.7
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

No patent data available for this compound.