CID 184312

5-iodo-2,2':5',2''-terthiophene

Structural Information

Molecular Formula
C12H7IS3
SMILES
C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)I
InChI
InChI=1S/C12H7IS3/c13-12-6-5-11(16-12)10-4-3-9(15-10)8-2-1-7-14-8/h1-7H
InChIKey
HCEXAPWURQGOJI-UHFFFAOYSA-N
Compound name
2-iodo-5-(5-thiophen-2-ylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

106
Patents

373.87546 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.88274 166.5
[M+Na]+ 396.86468 174.4
[M-H]- 372.86818 171.3
[M+NH4]+ 391.90928 185.3
[M+K]+ 412.83862 174.2
[M+H-H2O]+ 356.87272 160.0
[M+HCOO]- 418.87366 176.8
[M+CH3COO]- 432.88931 176.9
[M+Na-2H]- 394.85013 152.7
[M]+ 373.87491 169.0
[M]- 373.87601 169.0
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