CID 326780

76843-71-5

Structural Information

Molecular Formula
C18H29AsO9S
SMILES
CC[As](CC)SCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H29AsO9S/c1-7-19(8-2)29-9-14-15(24-10(3)20)16(25-11(4)21)17(26-12(5)22)18(28-14)27-13(6)23/h14-18H,7-9H2,1-6H3
InChIKey
XOZFDBRVEUXRRA-UHFFFAOYSA-N
Compound name
[4,5,6-triacetyloxy-2-(diethylarsanylsulfanylmethyl)oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.07483 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.08211 208.0
[M+Na]+ 519.06405 209.5
[M-H]- 495.06755 210.1
[M+NH4]+ 514.10865 215.9
[M+K]+ 535.03799 211.3
[M+H-H2O]+ 479.07209 200.6
[M+HCOO]- 541.07303 215.8
[M+CH3COO]- 555.08868 230.6
[M+Na-2H]- 517.04950 199.6
[M]+ 496.07428 218.5
[M]- 496.07538 218.5
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.