CID 16641278

883526-96-3

Structural Information

Molecular Formula
C7H8BrNOS
SMILES
C1=CSC(=C1)CNC(=O)CBr
InChI
InChI=1S/C7H8BrNOS/c8-4-7(10)9-5-6-2-1-3-11-6/h1-3H,4-5H2,(H,9,10)
InChIKey
XFGFQNGEXUDOOD-UHFFFAOYSA-N
Compound name
2-bromo-N-(thiophen-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.951 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.958276 137.6
[M+Na]+ 255.940218 149.1
[M-H]- 231.943724 144.2
[M+NH4]+ 250.984823 161.1
[M+K]+ 271.914158 137.7
[M+H-H2O]+ 215.948260 137.5
[M+HCOO]- 277.949201 156.4
[M+CH3COO]- 291.964851 185.7
[M+Na-2H]- 253.925666 142.0
[M]+ 232.95045142 157.4
[M]- 232.95154858 157.4
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

No patent data available for this compound.