CID 642334

3,3'-dimethyl-2,2'-bithiophenyl

Structural Information

Molecular Formula
C10H10S2
SMILES
CC1=C(SC=C1)C2=C(C=CS2)C
InChI
InChI=1S/C10H10S2/c1-7-3-5-11-9(7)10-8(2)4-6-12-10/h3-6H,1-2H3
InChIKey
JZAXSONNGUOWCS-UHFFFAOYSA-N
Compound name
3-methyl-2-(3-methylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

194.0224 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02968 139.0
[M+Na]+ 217.01162 151.9
[M-H]- 193.01512 147.8
[M+NH4]+ 212.05622 163.9
[M+K]+ 232.98556 147.8
[M+H-H2O]+ 177.01966 134.8
[M+HCOO]- 239.02060 157.2
[M+CH3COO]- 253.03625 154.7
[M+Na-2H]- 214.99707 138.0
[M]+ 194.02185 144.5
[M]- 194.02295 144.5
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