CID 10562418

2-bromo-5-hexylthiophene

Structural Information

Molecular Formula
C10H15BrS
SMILES
CCCCCCC1=CC=C(S1)Br
InChI
InChI=1S/C10H15BrS/c1-2-3-4-5-6-9-7-8-10(11)12-9/h7-8H,2-6H2,1H3
InChIKey
LSIYDKGTGHFTFW-UHFFFAOYSA-N
Compound name
2-bromo-5-hexylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

246.00778 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01506 143.8
[M+Na]+ 268.99700 156.2
[M-H]- 245.00050 150.5
[M+NH4]+ 264.04160 167.8
[M+K]+ 284.97094 144.3
[M+H-H2O]+ 229.00504 144.5
[M+HCOO]- 291.00598 161.5
[M+CH3COO]- 305.02163 189.7
[M+Na-2H]- 266.98245 146.9
[M]+ 246.00723 165.9
[M]- 246.00833 165.9
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