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

5
Patents

228.03487 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.042146 136.2
[M+Na]+ 251.024088 145.9
[M-H]- 227.027594 141.1
[M+NH4]+ 246.068693 153.6
[M+K]+ 266.998028 138.4
[M+H-H2O]+ 211.032130 140.5
[M+HCOO]- 273.033071 152.0
[M+CH3COO]- 287.048721 149.4
[M+Na-2H]- 249.009536 144.0
[M]+ 228.03432142 148.5
[M]- 228.03541858 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

patents stripe