CID 506579

2-[[4-(carbamoyldisulfanyl)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid

Structural Information

Molecular Formula
C11H12AsNO5S4
SMILES
C1=CC(=CC=C1SSC(=O)N)[As](SCC(=O)O)SCC(=O)O
InChI
InChI=1S/C11H12AsNO5S4/c13-11(18)22-21-8-3-1-7(2-4-8)12(19-5-9(14)15)20-6-10(16)17/h1-4H,5-6H2,(H2,13,18)(H,14,15)(H,16,17)
InChIKey
DXWKPNRSZWJOQJ-UHFFFAOYSA-N
Compound name
2-[[4-(carbamoyldisulfanyl)phenyl]-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
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 188.5
[M+Na]+ 463.87066 189.5
[M-H]- 439.87416 183.8
[M+NH4]+ 458.91526 195.9
[M+K]+ 479.84460 179.3
[M+H-H2O]+ 423.87870 180.5
[M+HCOO]- 485.87964 182.3
[M+CH3COO]- 499.89529 212.4
[M+Na-2H]- 461.85611 185.3
[M]+ 440.88089 186.1
[M]- 440.88199 186.1
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.