CID 506581

Acetic acid, mercapto-, diester with p-sulfamoyldithiobenzenearsonous acid

Structural Information

Molecular Formula
C10H12AsNO6S5
SMILES
C1=CC(=CC=C1SSS(=O)(=O)N)[As](SCC(=O)O)SCC(=O)O
InChI
InChI=1S/C10H12AsNO6S5/c12-23(17,18)22-21-8-3-1-7(2-4-8)11(19-5-9(13)14)20-6-10(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKey
QMPRMYLSPIAJNQ-UHFFFAOYSA-N
Compound name
2-[carboxymethylsulfanyl-[4-(sulfamoyldisulfanyl)phenyl]arsanyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.84842 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.85570 202.1
[M+Na]+ 499.83764 202.4
[M-H]- 475.84114 195.1
[M+NH4]+ 494.88224 206.6
[M+K]+ 515.81158 189.0
[M+H-H2O]+ 459.84568 193.6
[M+HCOO]- 521.84662 190.4
[M+CH3COO]- 535.86227 216.7
[M+Na-2H]- 497.82309 202.6
[M]+ 476.84787 195.9
[M]- 476.84897 195.9
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.