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

16
Patents

203.96083 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.968106 130.2
[M+Na]+ 226.950048 143.8
[M-H]- 202.953554 137.5
[M+NH4]+ 221.994653 155.9
[M+K]+ 242.923988 132.8
[M+H-H2O]+ 186.958090 131.6
[M+HCOO]- 248.959031 148.9
[M+CH3COO]- 262.974681 181.3
[M+Na-2H]- 224.935496 134.9
[M]+ 203.96028142 151.4
[M]- 203.96137858 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

patents stripe