CID 198564

Piperazinium, 1,4-bis(1,3-dithiolan-2-ylidene)-, dibromide

Structural Information

Molecular Formula
C10H16N2S4
SMILES
C1C[N+](=C2SCCS2)CC[N+]1=C3SCCS3
InChI
InChI=1S/C10H16N2S4/c1-2-12(10-15-7-8-16-10)4-3-11(1)9-13-5-6-14-9/h1-8H2/q+2
InChIKey
RTMVVRIQWDAVLG-UHFFFAOYSA-N
Compound name
1,4-bis(1,3-dithiolan-2-ylidene)piperazine-1,4-diium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.01962 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02690 159.0
[M+Na]+ 315.00884 165.2
[M-H]- 291.01234 163.5
[M+NH4]+ 310.05344 174.5
[M+K]+ 330.98278 149.3
[M+H-H2O]+ 275.01688 159.0
[M+HCOO]- 337.01782 155.2
[M+CH3COO]- 351.03347 182.4
[M+Na-2H]- 312.99429 157.7
[M]+ 292.01907 145.7
[M]- 292.02017 145.7
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.