CID 71309686

1257650-61-5

Structural Information

Molecular Formula
C11H10BBrFNO4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC(=C2)Br)F
InChI
InChI=1S/C11H10BBrFNO4/c1-15-5-10(16)18-12(19-11(17)6-15)7-2-8(13)4-9(14)3-7/h2-4H,5-6H2,1H3
InChIKey
ABRYALMIBLCOGS-UHFFFAOYSA-N
Compound name
2-(3-bromo-5-fluorophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.98703 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.99431 160.9
[M+Na]+ 351.97625 162.1
[M+NH4]+ 347.02085 161.8
[M+K]+ 367.95019 163.0
[M-H]- 327.97975 161.5
[M+Na-2H]- 349.96170 161.9
[M]+ 328.98648 160.8
[M]- 328.98758 160.8
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.