CID 202064

Did 100

Structural Information

Molecular Formula
C20H15AsO3S
SMILES
C1=CC=C(C=C1)OCC(=O)S[As]2C3=CC=CC=C3OC4=CC=CC=C42
InChI
InChI=1S/C20H15AsO3S/c22-20(14-23-15-8-2-1-3-9-15)25-21-16-10-4-6-12-18(16)24-19-13-7-5-11-17(19)21/h1-13H,14H2
InChIKey
CSPRAAXKGFDNKP-UHFFFAOYSA-N
Compound name
S-phenoxarsinin-10-yl 2-phenoxyethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.9958 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.00308 188.4
[M+Na]+ 432.98502 195.2
[M-H]- 408.98852 196.4
[M+NH4]+ 428.02962 201.6
[M+K]+ 448.95896 190.8
[M+H-H2O]+ 392.99306 179.3
[M+HCOO]- 454.99400 202.0
[M+CH3COO]- 469.00965 198.1
[M+Na-2H]- 430.97047 192.9
[M]+ 409.99525 192.2
[M]- 409.99635 192.2
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.