CID 41138

Ra(sub 16)

Structural Information

Molecular Formula
C9H6N2O2S3
SMILES
C1CSC2=C(S1)C(=O)N(C2=O)C3=NC=CS3
InChI
InChI=1S/C9H6N2O2S3/c12-7-5-6(15-4-3-14-5)8(13)11(7)9-10-1-2-16-9/h1-2H,3-4H2
InChIKey
QWLIYNKDFYYMFJ-UHFFFAOYSA-N
Compound name
6-(1,3-thiazol-2-yl)-2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.95914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.96642 155.6
[M+Na]+ 292.94836 167.6
[M-H]- 268.95186 160.8
[M+NH4]+ 287.99296 175.2
[M+K]+ 308.92230 162.5
[M+H-H2O]+ 252.95640 152.1
[M+HCOO]- 314.95734 161.8
[M+CH3COO]- 328.97299 167.6
[M+Na-2H]- 290.93381 153.5
[M]+ 269.95859 157.2
[M]- 269.95969 157.2
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.