CID 10749

Thiacetarsamide

Structural Information

Molecular Formula
C11H12AsNO5S2
SMILES
C1=CC(=CC=C1C(=O)N)[As](SCC(=O)O)SCC(=O)O
InChI
InChI=1S/C11H12AsNO5S2/c13-11(18)7-1-3-8(4-2-7)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
YBQWEUNEYYXYOI-UHFFFAOYSA-N
Compound name
2-[(4-carbamoylphenyl)-(carboxymethylsulfanyl)arsanyl]sulfanylacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

79
References

1443
Patents

376.9373 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.94458 175.1
[M+Na]+ 399.92652 180.4
[M+NH4]+ 394.97112 179.3
[M+K]+ 415.90046 174.8
[M-H]- 375.93002 173.2
[M+Na-2H]- 397.91197 175.1
[M]+ 376.93675 175.6
[M]- 376.93785 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe