CID 13111017

2-(dibromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Structural Information

Molecular Formula
C7H13BBr2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C(Br)Br
InChI
InChI=1S/C7H13BBr2O2/c1-6(2)7(3,4)12-8(11-6)5(9)10/h5H,1-4H3
InChIKey
LFJFHEZDHXPBCP-UHFFFAOYSA-N
Compound name
2-(dibromomethyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.93753 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.94481 144.0
[M+Na]+ 320.92675 155.4
[M-H]- 296.93025 152.1
[M+NH4]+ 315.97135 165.9
[M+K]+ 336.90069 143.3
[M+H-H2O]+ 280.93479 154.5
[M+HCOO]- 342.93573 157.5
[M+CH3COO]- 356.95138 202.8
[M+Na-2H]- 318.91220 151.2
[M]+ 297.93698 179.9
[M]- 297.93808 179.9
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.