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 167.0
[M+Na]+ 337.99889 172.7
[M-H]- 314.00239 173.9
[M+NH4]+ 333.04349 186.4
[M+K]+ 353.97283 168.6
[M+H-H2O]+ 298.00693 159.8
[M+HCOO]- 360.00787 179.7
[M+CH3COO]- 374.02352 199.4
[M+Na-2H]- 335.98434 164.2
[M]+ 315.00912 168.1
[M]- 315.01022 168.1
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.