CID 71310655

1257649-57-2

Structural Information

Molecular Formula
C11H11BBrNO4
SMILES
B1(OC(=O)CN(CC(=O)O1)C)C2=CC=CC=C2Br
InChI
InChI=1S/C11H11BBrNO4/c1-14-6-10(15)17-12(18-11(16)7-14)8-4-2-3-5-9(8)13/h2-5H,6-7H2,1H3
InChIKey
OKCCXZGVZLOVRX-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.99646 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.00374 156.8
[M+Na]+ 333.98568 158.2
[M+NH4]+ 329.03028 158.0
[M+K]+ 349.95962 159.2
[M-H]- 309.98918 157.8
[M+Na-2H]- 331.97113 158.3
[M]+ 310.99591 156.9
[M]- 310.99701 156.9
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.