CID 11447992

3-(6-bromohexyl)thiophene

Structural Information

Molecular Formula
C10H15BrS
SMILES
C1=CSC=C1CCCCCCBr
InChI
InChI=1S/C10H15BrS/c11-7-4-2-1-3-5-10-6-8-12-9-10/h6,8-9H,1-5,7H2
InChIKey
GYLQGNOVNHZKCY-UHFFFAOYSA-N
Compound name
3-(6-bromohexyl)thiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

57
Patents

246.00778 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01506 144.5
[M+Na]+ 268.99700 156.1
[M-H]- 245.00050 150.9
[M+NH4]+ 264.04160 168.3
[M+K]+ 284.97094 144.3
[M+H-H2O]+ 229.00504 145.1
[M+HCOO]- 291.00598 162.3
[M+CH3COO]- 305.02163 188.7
[M+Na-2H]- 266.98245 148.1
[M]+ 246.00723 166.3
[M]- 246.00833 166.3
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