CID 96378

Acetic acid, (1,3,2-dithiarsolan-2-ylthio)-

Structural Information

Molecular Formula
C4H7AsO2S3
SMILES
C1CS[As](S1)SCC(=O)O
InChI
InChI=1S/C4H7AsO2S3/c6-4(7)3-10-5-8-1-2-9-5/h1-3H2,(H,6,7)
InChIKey
STKFUOAEOBBGGH-UHFFFAOYSA-N
Compound name
2-(1,3,2-dithiarsolan-2-ylsulfanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

257.88242 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.88970 149.7
[M+Na]+ 280.87164 156.0
[M-H]- 256.87514 150.3
[M+NH4]+ 275.91624 169.4
[M+K]+ 296.84558 151.3
[M+H-H2O]+ 240.87968 144.6
[M+HCOO]- 302.88062 153.8
[M+CH3COO]- 316.89627 178.7
[M+Na-2H]- 278.85709 146.4
[M]+ 257.88187 148.6
[M]- 257.88297 148.6
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.