CID 116252

Xanthic acid, tert-butyl-, arsinic(iii) derivative (3:1)

Structural Information

Molecular Formula
C15H27AsO3S6
SMILES
CC(C)(C)OC(=S)S[As](SC(=S)OC(C)(C)C)SC(=S)OC(C)(C)C
InChI
InChI=1S/C15H27AsO3S6/c1-13(2,3)17-10(20)23-16(24-11(21)18-14(4,5)6)25-12(22)19-15(7,8)9/h1-9H3
InChIKey
JURFFDWKCVRFKV-UHFFFAOYSA-N
Compound name
O-tert-butyl bis[(2-methylpropan-2-yl)oxycarbothioylsulfanyl]arsanylsulfanylmethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

521.95 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 522.95728 226.8
[M+Na]+ 544.93922 225.1
[M-H]- 520.94272 218.1
[M+NH4]+ 539.98382 231.1
[M+K]+ 560.91316 211.5
[M+H-H2O]+ 504.94726 216.9
[M+HCOO]- 566.94820 205.7
[M+CH3COO]- 580.96385 228.3
[M+Na-2H]- 542.92467 224.8
[M]+ 521.94945 218.6
[M]- 521.95055 218.6
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.