CID 99779822

64493-44-3

Structural Information

Molecular Formula
C2H3B10S
SMILES
[B]1[B][B][C@@H]2[B][B]B([B][C@@H]([B]2)[B][B]1)S
InChI
InChI=1S/C2H3B10S/c13-12-7-2-3-1(6-11-12)4-8-10-9-5-2/h1-2,13H/t1-,2+/m1/s1
InChIKey
LEILPQLVBYGUCB-NCGGTJAESA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

169.0886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.095876 140.4
[M+Na]+ 192.077818 143.4
[M-H]- 168.081324 142.0
[M+NH4]+ 187.122423 149.9
[M+K]+ 208.051758 145.1
[M+H-H2O]+ 152.085860 137.9
[M+HCOO]- 214.086801 145.6
[M+CH3COO]- 228.102451 145.1
[M+Na-2H]- 190.063266 140.4
[M]+ 169.08805142 137.3
[M]- 169.08914858 137.3
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

patents stripe