CID 11322015

7333-08-6

Structural Information

Molecular Formula
C10H6O2S2
SMILES
C1=CSC=C1C(=O)C(=O)C2=CSC=C2
InChI
InChI=1S/C10H6O2S2/c11-9(7-1-3-13-5-7)10(12)8-2-4-14-6-8/h1-6H
InChIKey
JMJXLGSQHPIURJ-UHFFFAOYSA-N
Compound name
1,2-di(thiophen-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

221.98093 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.98821 149.7
[M+Na]+ 244.97015 160.3
[M-H]- 220.97365 157.9
[M+NH4]+ 240.01475 172.3
[M+K]+ 260.94409 156.9
[M+H-H2O]+ 204.97819 144.9
[M+HCOO]- 266.97913 166.6
[M+CH3COO]- 280.99478 182.8
[M+Na-2H]- 242.95560 148.1
[M]+ 221.98038 154.6
[M]- 221.98148 154.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe