CID 5466115

Nsc676527

Structural Information

Molecular Formula
C4H2B10Cl2
SMILES
B12B3B1B4B5B6B2B3B6C78B5C47CC8(Cl)Cl
InChI
InChI=1S/C4H2B10Cl2/c15-3(16)1-2-4(3)5(2)8-6(2)9-12-11-7(4)10(8)13(11)14(9)12/h1H2
InChIKey
RAVNFYPHCCHFAM-UHFFFAOYSA-N
Compound name
5,5-dichloro-1,2,7,8,9,10,11,12,13,14-decaboraoctacyclo[6.6.0.02,6.03,6.03,14.07,10.09,12.011,13]tetradecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0464 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05368 152.8
[M+Na]+ 253.03562 159.3
[M-H]- 229.03912 158.1
[M+NH4]+ 248.08022 153.2
[M+K]+ 269.00956 160.2
[M+H-H2O]+ 213.04366 144.9
[M+HCOO]- 275.04460 152.2
[M+CH3COO]- 289.06025 158.2
[M+Na-2H]- 251.02107 154.8
[M]+ 230.04585 176.8
[M]- 230.04695 176.8
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.