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]+ 221.20988 184.6
[M+Na]+ 243.19182 187.1
[M-H]- 219.19532 184.9
[M+NH4]+ 238.23642 185.1
[M+K]+ 259.16576 185.1
[M+H-H2O]+ 203.19986 176.7
[M+HCOO]- 265.20080 186.0
[M+CH3COO]- 279.21645 186.8
[M+Na-2H]- 241.17727 188.2
[M]+ 220.20205 185.5
[M]- 220.20315 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.