CID 9575956

072n2uh75l

Structural Information

Molecular Formula
C4H2N2S6
SMILES
C\1=N\C(=S)SSSSC(=S)\N=C1
InChI
InChI=1S/C4H2N2S6/c7-3-5-1-2-6-4(8)10-12-11-9-3/h1-2H/b5-1-,6-2-
InChIKey
WBLWIBQAAPOTJK-IOBHVTPZSA-N
Compound name
(6Z,8Z)-1,2,3,4,6,9-tetrathiadiazecine-5,10-dithione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.85422 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.86150 162.1
[M+Na]+ 292.84344 170.9
[M-H]- 268.84694 156.1
[M+NH4]+ 287.88804 171.0
[M+K]+ 308.81738 157.2
[M+H-H2O]+ 252.85148 158.8
[M+HCOO]- 314.85242 149.1
[M+CH3COO]- 328.86807 166.4
[M+Na-2H]- 290.82889 161.4
[M]+ 269.85367 146.5
[M]- 269.85477 146.5
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.