CID 5466117

Bromo(bromomethyl)[?]

Structural Information

Molecular Formula
C3H2B10Br2
SMILES
B12B3B1B4B5B6B2B3B6C7(B5C47Br)CBr
InChI
InChI=1S/C3H2B10Br2/c14-1-2-3(15)4(2)7-6(3)10-12-9-5(2)8(7)11(9)13(10)12/h1H2
InChIKey
WJFGRBHHCUUGLE-UHFFFAOYSA-N
Compound name
4-bromo-2-(bromomethyl)-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.02,4.03,6.05,10.08,12.09,11]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.94537 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.95265 134.6
[M+Na]+ 328.93459 143.3
[M-H]- 304.93809 141.7
[M+NH4]+ 323.97919 139.9
[M+K]+ 344.90853 137.8
[M+H-H2O]+ 288.94263 135.3
[M+HCOO]- 350.94357 138.6
[M+CH3COO]- 364.95922 143.5
[M+Na-2H]- 326.92004 140.6
[M]+ 305.94482 172.3
[M]- 305.94592 172.3
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.