CID 130525267

2-bromo-4-ethynylthiophene

Structural Information

Molecular Formula
C6H3BrS
SMILES
C#CC1=CSC(=C1)Br
InChI
InChI=1S/C6H3BrS/c1-2-5-3-6(7)8-4-5/h1,3-4H
InChIKey
SEGAWKROMHXKFE-UHFFFAOYSA-N
Compound name
2-bromo-4-ethynylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.91388 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.92116 126.5
[M+Na]+ 208.90310 143.3
[M-H]- 184.90660 132.0
[M+NH4]+ 203.94770 150.2
[M+K]+ 224.87704 131.5
[M+H-H2O]+ 168.91114 122.0
[M+HCOO]- 230.91208 142.7
[M+CH3COO]- 244.92773 185.5
[M+Na-2H]- 206.88855 131.1
[M]+ 185.91333 140.0
[M]- 185.91443 140.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.