CID 73441691

1105069-27-9

Structural Information

Molecular Formula
C7H9BBrNO4
SMILES
[B-]12([N+](CC(=O)O1)(CC(=O)O2)C)/C=C\Br
InChI
InChI=1S/C7H9BBrNO4/c1-10-4-6(11)13-8(10,2-3-9)14-7(12)5-10/h2-3H,4-5H2,1H3/b3-2-
InChIKey
AYYUZOQBVAPABR-IHWYPQMZSA-N
Compound name
1-[(Z)-2-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 147.8
[M+Na]+ 283.97002 160.5
[M-H]- 259.97352 153.9
[M+NH4]+ 279.01462 171.8
[M+K]+ 299.94396 147.5
[M+H-H2O]+ 243.97806 155.5
[M+HCOO]- 305.97900 164.7
[M+CH3COO]- 319.99465 177.1
[M+Na-2H]- 281.95547 157.4
[M]+ 260.98025 165.0
[M]- 260.98135 165.0
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.