CID 130067298

1449377-16-5

Structural Information

Molecular Formula
C7H9BBrNO4
SMILES
[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)C(=C)Br
InChI
InChI=1S/C7H9BBrNO4/c1-5(9)8-10(2,3-6(11)13-8)4-7(12)14-8/h1,3-4H2,2H3
InChIKey
OJIJVRBUHXUCEN-UHFFFAOYSA-N
Compound name
1-(1-bromoethenyl)-5-methyl-2,8-dioxa-5-azonia-1-boranuidabicyclo[3.3.0]octane-3,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9808 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.98808 147.9
[M+Na]+ 283.97002 160.3
[M-H]- 259.97352 154.0
[M+NH4]+ 279.01462 171.8
[M+K]+ 299.94396 147.7
[M+H-H2O]+ 243.97806 155.8
[M+HCOO]- 305.97900 163.9
[M+CH3COO]- 319.99465 178.4
[M+Na-2H]- 281.95547 156.5
[M]+ 260.98025 164.6
[M]- 260.98135 164.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.