CID 59752457

5-bromo-5'-hexyl-2,2'-bithiophene

Structural Information

Molecular Formula
C14H17BrS2
SMILES
CCCCCCC1=CC=C(S1)C2=CC=C(S2)Br
InChI
InChI=1S/C14H17BrS2/c1-2-3-4-5-6-11-7-8-12(16-11)13-9-10-14(15)17-13/h7-10H,2-6H2,1H3
InChIKey
QNMUCNVCVAUOQU-UHFFFAOYSA-N
Compound name
2-bromo-5-(5-hexylthiophen-2-yl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

327.9955 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.00278 157.2
[M+Na]+ 350.98472 172.4
[M-H]- 326.98822 167.9
[M+NH4]+ 346.02932 180.7
[M+K]+ 366.95866 159.1
[M+H-H2O]+ 310.99276 158.6
[M+HCOO]- 372.99370 172.7
[M+CH3COO]- 387.00935 173.1
[M+Na-2H]- 348.97017 157.3
[M]+ 327.99495 182.0
[M]- 327.99605 182.0
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