CID 85000

Tri(2-mercaptoethyl) borate

Structural Information

Molecular Formula
C6H15BO3S3
SMILES
B(OCCS)(OCCS)OCCS
InChI
InChI=1S/C6H15BO3S3/c11-4-1-8-7(9-2-5-12)10-3-6-13/h11-13H,1-6H2
InChIKey
WWOWUKPIQFKJRO-UHFFFAOYSA-N
Compound name
tris(2-sulfanylethyl) borate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

242.02763 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.03491 147.7
[M+Na]+ 265.01685 153.0
[M-H]- 241.02035 146.4
[M+NH4]+ 260.06145 165.0
[M+K]+ 280.99079 149.2
[M+H-H2O]+ 225.02489 141.3
[M+HCOO]- 287.02583 153.1
[M+CH3COO]- 301.04148 190.7
[M+Na-2H]- 263.00230 146.3
[M]+ 242.02708 154.2
[M]- 242.02818 154.2
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

patents stripe