CID 3936632

2,5-dibromo-3-hexylthiophene

Structural Information

Molecular Formula
C10H14Br2S
SMILES
CCCCCCC1=C(SC(=C1)Br)Br
InChI
InChI=1S/C10H14Br2S/c1-2-3-4-5-6-8-7-9(11)13-10(8)12/h7H,2-6H2,1H3
InChIKey
NSYFIAVPXHGRSH-UHFFFAOYSA-N
Compound name
2,5-dibromo-3-hexylthiophene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

720
Patents

323.9183 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.92558 147.4
[M+Na]+ 346.90752 142.0
[M+NH4]+ 341.95212 150.0
[M+K]+ 362.88146 147.6
[M-H]- 322.91102 148.3
[M+Na-2H]- 344.89297 148.3
[M]+ 323.91775 146.0
[M]- 323.91885 146.0
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