CID 118856340

19496-84-5

Structural Information

Molecular Formula
C3H3B10Br
SMILES
[B]1[B][B][B][B]C2[B]C2([B][B][B][B]1)CBr
InChI
InChI=1S/C3H3B10Br/c14-1-3-2(4-3)5-7-9-11-13-12-10-8-6-3/h2H,1H2
InChIKey
MXWVRXIARQXIER-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.03487 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04215 136.2
[M+Na]+ 251.02409 145.9
[M-H]- 227.02759 141.1
[M+NH4]+ 246.06869 153.6
[M+K]+ 266.99803 138.4
[M+H-H2O]+ 211.03213 140.5
[M+HCOO]- 273.03307 152.0
[M+CH3COO]- 287.04872 149.4
[M+Na-2H]- 249.00954 144.0
[M]+ 228.03432 148.5
[M]- 228.03542 148.5
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.