CID 5466116

Nsc676528

Structural Information

Molecular Formula
C4H4B10Cl2
SMILES
B12B3B1B4B5B6B2B3B6C7(B5C47CCl)CCl
InChI
InChI=1S/C4H4B10Cl2/c15-1-3-4(2-16)5(3)8-6(3)10-13-11-7(4)9(8)12(11)14(10)13/h1-2H2
InChIKey
JJJJIIDMTWWFMT-UHFFFAOYSA-N
Compound name
2,4-bis(chloromethyl)-1,3,5,6,7,8,9,10,11,12-decaboraheptacyclo[5.5.0.02,4.03,6.05,10.08,12.09,11]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.06206 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.06934 146.9
[M+Na]+ 255.05128 154.8
[M-H]- 231.05478 151.1
[M+NH4]+ 250.09588 149.9
[M+K]+ 271.02522 154.5
[M+H-H2O]+ 215.05932 138.4
[M+HCOO]- 277.06026 147.1
[M+CH3COO]- 291.07591 154.0
[M+Na-2H]- 253.03673 150.5
[M]+ 232.06151 171.5
[M]- 232.06261 171.5
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.