CID 138398515

1,2-dicarbadodecaborane(12), 1-hexyl-

Structural Information

Molecular Formula
C8H14B10
SMILES
[B]1[B][B][B]C2[B][B][B]C2([B][B][B]1)CCCCCC
InChI
InChI=1S/C8H14B10/c1-2-3-4-5-6-8-7(9-13-11-8)10-14-16-18-17-15-12-8/h7H,2-6H2,1H3
InChIKey
MNOCMHWTJIZAGO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.2026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.209876 184.6
[M+Na]+ 243.191818 187.1
[M-H]- 219.195324 184.9
[M+NH4]+ 238.236423 185.1
[M+K]+ 259.165758 185.1
[M+H-H2O]+ 203.199860 176.7
[M+HCOO]- 265.200801 186.0
[M+CH3COO]- 279.216451 186.8
[M+Na-2H]- 241.177266 188.2
[M]+ 220.20205142 185.5
[M]- 220.20314858 185.5
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.