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
4
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]+ 211.13500 185.3
[M+Na]+ 233.11694 187.9
[M-H]- 209.12044 185.7
[M+NH4]+ 228.16154 185.9
[M+K]+ 249.09088 185.9
[M+H-H2O]+ 193.12498 177.5
[M+HCOO]- 255.12592 186.8
[M+CH3COO]- 269.14157 187.6
[M+Na-2H]- 231.10239 188.9
[M]+ 210.12717 186.2
[M]- 210.12827 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.