CID 118856340

1-bromomethyl-o-carborane

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	229.04215	131.3
[M+Na]+	251.02409	134.5
[M+NH4]+	246.06869	138.9
[M+K]+	266.99803	133.7
[M-H]-	227.02759	138.7
[M+Na-2H]-	249.00954	138.0
[M]+	228.03432	133.6
[M]-	228.03542	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.