CID 459192

[(p-aminophenyl)arsylenedithio]diacetic acid, disodium salt

Structural Information

Molecular Formula
C10H12AsNO4S2
SMILES
C1=CC(=CC=C1N)[As](SCC(=O)O)SCC(=O)O
InChI
InChI=1S/C10H12AsNO4S2/c12-8-3-1-7(2-4-8)11(17-5-9(13)14)18-6-10(15)16/h1-4H,5-6,12H2,(H,13,14)(H,15,16)
InChIKey
HUPQAXUKGNIUCB-UHFFFAOYSA-N
Compound name
2-[(4-aminophenyl)-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.94238 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.94966 171.3
[M+Na]+ 371.93160 175.0
[M-H]- 347.93510 170.0
[M+NH4]+ 366.97620 184.1
[M+K]+ 387.90554 169.6
[M+H-H2O]+ 331.93964 164.0
[M+HCOO]- 393.94058 178.5
[M+CH3COO]- 407.95623 197.5
[M+Na-2H]- 369.91705 167.7
[M]+ 348.94183 171.9
[M]- 348.94293 171.9
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.