CID 392908

Nsc694090

Structural Information

Molecular Formula
C9H6N2S3Se2
SMILES
C1CC2=C(C1)[Se]C(=C3SC4=NSN=C4S3)[Se]2
InChI
InChI=1S/C9H6N2S3Se2/c1-2-4-5(3-1)16-9(15-4)8-12-6-7(13-8)11-14-10-6/h1-3H2
InChIKey
JLIXGAIOXLIFBL-UHFFFAOYSA-N
Compound name
5-(5,6-dihydro-4H-cyclopenta[d][1,3]diselenol-2-ylidene)-[1,3]dithiolo[4,5-c][1,2,5]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.80237 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.80965 180.3
[M+Na]+ 420.79159 193.0
[M-H]- 396.79509 186.9
[M+NH4]+ 415.83619 204.1
[M+K]+ 436.76553 189.6
[M+H-H2O]+ 380.79963 178.3
[M+HCOO]- 442.80057 187.1
[M+CH3COO]- 456.81622 191.8
[M+Na-2H]- 418.77704 173.2
[M]+ 397.80182 182.8
[M]- 397.80292 182.8
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.