CID 385061

Nsc675990

Structural Information

Molecular Formula
C5Cl2N2S2Se
SMILES
C12=C(N=C(N=C1Cl)Cl)SC(=[Se])S2
InChI
InChI=1S/C5Cl2N2S2Se/c6-2-1-3(9-4(7)8-2)11-5(12)10-1
InChIKey
JMSYCLOHBMBDHV-UHFFFAOYSA-N
Compound name
5,7-dichloro-[1,3]dithiolo[4,5-d]pyrimidine-2-selone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.80453 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.81181 149.8
[M+Na]+ 324.79375 164.9
[M-H]- 300.79725 152.7
[M+NH4]+ 319.83835 170.3
[M+K]+ 340.76769 157.8
[M+H-H2O]+ 284.80179 145.8
[M+HCOO]- 346.80273 154.1
[M+CH3COO]- 360.81838 163.0
[M+Na-2H]- 322.77920 150.7
[M]+ 301.80398 156.7
[M]- 301.80508 156.7
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.