CID 21255

5185-78-4

Structural Information

Molecular Formula
C12H18AsNS2
SMILES
CCN(CC)C1=CC=C(C=C1)[As]2SCCS2
InChI
InChI=1S/C12H18AsNS2/c1-3-14(4-2)12-7-5-11(6-8-12)13-15-9-10-16-13/h5-8H,3-4,9-10H2,1-2H3
InChIKey
AYKAHLLUTCVIIT-UHFFFAOYSA-N
Compound name
4-(1,3,2-dithiarsolan-2-yl)-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.00967 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.01695 163.4
[M+Na]+ 337.99889 173.3
[M+NH4]+ 333.04349 173.7
[M+K]+ 353.97283 163.4
[M-H]- 314.00239 168.9
[M+Na-2H]- 335.98434 169.1
[M]+ 315.00912 167.3
[M]- 315.01022 167.3
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.