CID 117064407

M-carborane-1-thiol

Structural Information

Molecular Formula
C2H2B10S
SMILES
[B]1[B][B][B][B]C2[B]C2([B][B][B][B]1)S
InChI
InChI=1S/C2H2B10S/c13-2-1(3-2)4-6-8-10-12-11-9-7-5-2/h1,13H
InChIKey
MXFYGVFXMYIUPG-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.08078 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08806 130.0
[M+Na]+ 191.07000 141.7
[M+NH4]+ 186.11460 142.1
[M+K]+ 207.04394 133.0
[M-H]- 167.07350 140.2
[M+Na-2H]- 189.05545 139.5
[M]+ 168.08023 136.1
[M]- 168.08133 136.1
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.