CID 506580

Acetic acid, mercapto-, diester with p-carbamoyldi-thiobenzenearsonous acid

Structural Information

Molecular Formula
C11H12AsNO5S4
SMILES
C1=CC(=CC=C1SSC(=O)N)[As](OC(=O)CS)OC(=O)CS
InChI
InChI=1S/C11H12AsNO5S4/c13-11(16)22-21-8-3-1-7(2-4-8)12(17-9(14)5-19)18-10(15)6-20/h1-4,19-20H,5-6H2,(H2,13,16)
InChIKey
CKLOLKVVHPSASY-UHFFFAOYSA-N
Compound name
[[4-(carbamoyldisulfanyl)phenyl]-(2-sulfanylacetyl)oxyarsanyl] 2-sulfanylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.88144 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.88872 191.6
[M+Na]+ 463.87066 193.8
[M-H]- 439.87416 189.9
[M+NH4]+ 458.91526 200.6
[M+K]+ 479.84460 185.2
[M+H-H2O]+ 423.87870 183.2
[M+HCOO]- 485.87964 188.2
[M+CH3COO]- 499.89529 215.3
[M+Na-2H]- 461.85611 188.6
[M]+ 440.88089 192.4
[M]- 440.88199 192.4
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.