CID 71310811

1257647-82-7

Structural Information

Molecular Formula
C11H10BBrFNO4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=C(C(=CC=C2)Br)F
InChI
InChI=1S/C11H10BBrFNO4/c1-15-5-9(16)18-12(19-10(17)6-15)7-3-2-4-8(13)11(7)14/h2-4H,5-6H2,1H3
InChIKey
POSHLJSRMPWZEE-UHFFFAOYSA-N
Compound name
2-(3-bromo-2-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 159.4
[M+Na]+ 351.97625 166.3
[M-H]- 327.97975 163.2
[M+NH4]+ 347.02085 165.9
[M+K]+ 367.95019 163.4
[M+H-H2O]+ 311.98429 157.5
[M+HCOO]- 373.98523 166.1
[M+CH3COO]- 388.00088 231.0
[M+Na-2H]- 349.96170 159.4
[M]+ 328.98648 167.2
[M]- 328.98758 167.2
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.