CID 4175110

2,5-di(2-thienyl)-1h-pyrrole

Structural Information

Molecular Formula
C12H9NS2
SMILES
C1=CSC(=C1)C2=CC=C(N2)C3=CC=CS3
InChI
InChI=1S/C12H9NS2/c1-3-11(14-7-1)9-5-6-10(13-9)12-4-2-8-15-12/h1-8,13H
InChIKey
REHRCHHNCOTPBV-UHFFFAOYSA-N
Compound name
2,5-dithiophen-2-yl-1H-pyrrole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

109
Patents

231.01764 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.02492 149.3
[M+Na]+ 254.00686 162.4
[M-H]- 230.01036 159.2
[M+NH4]+ 249.05146 172.3
[M+K]+ 269.98080 157.5
[M+H-H2O]+ 214.01490 145.0
[M+HCOO]- 276.01584 167.3
[M+CH3COO]- 290.03149 164.0
[M+Na-2H]- 251.99231 147.2
[M]+ 231.01709 153.0
[M]- 231.01819 153.0
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