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

129
Patents

169.0886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.09588 140.4
[M+Na]+ 192.07782 143.4
[M-H]- 168.08132 142.0
[M+NH4]+ 187.12242 149.9
[M+K]+ 208.05176 145.1
[M+H-H2O]+ 152.08586 137.9
[M+HCOO]- 214.08680 145.6
[M+CH3COO]- 228.10245 145.1
[M+Na-2H]- 190.06327 140.4
[M]+ 169.08805 137.3
[M]- 169.08915 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