CID 138400374

62906-35-8

Structural Information

Molecular Formula
C5H8B10S
SMILES
[B]1[B][B][B]C2[B][B][B]C2([B][B][B]1)CSCC
InChI
InChI=1S/C5H8B10S/c1-2-16-3-5-4(6-10-8-5)7-11-13-15-14-12-9-5/h4H,2-3H2,1H3
InChIKey
UNWCQAZLGZMENK-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

210.12772 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.134996 185.3
[M+Na]+ 233.116938 187.9
[M-H]- 209.120444 185.7
[M+NH4]+ 228.161543 185.9
[M+K]+ 249.090878 185.9
[M+H-H2O]+ 193.124980 177.5
[M+HCOO]- 255.125921 186.8
[M+CH3COO]- 269.141571 187.6
[M+Na-2H]- 231.102386 188.9
[M]+ 210.12717142 186.2
[M]- 210.12826858 186.2
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.