CID 64867736

2-(2-bromoethyl)-5-methylthiophene

Structural Information

Molecular Formula
C7H9BrS
SMILES
CC1=CC=C(S1)CCBr
InChI
InChI=1S/C7H9BrS/c1-6-2-3-7(9-6)4-5-8/h2-3H,4-5H2,1H3
InChIKey
GYGABVLGQGREHG-UHFFFAOYSA-N
Compound name
2-(2-bromoethyl)-5-methylthiophene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

203.96083 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.96811 130.2
[M+Na]+ 226.95005 143.8
[M-H]- 202.95355 137.5
[M+NH4]+ 221.99465 155.9
[M+K]+ 242.92399 132.8
[M+H-H2O]+ 186.95809 131.6
[M+HCOO]- 248.95903 148.9
[M+CH3COO]- 262.97468 181.3
[M+Na-2H]- 224.93550 134.9
[M]+ 203.96028 151.4
[M]- 203.96138 151.4
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.