CID 16641278

2-bromo-n-(2-thienylmethyl)acetamide

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]+ 233.95828 135.9
[M+Na]+ 255.94022 136.6
[M+NH4]+ 250.98482 141.1
[M+K]+ 271.91416 137.1
[M-H]- 231.94372 136.3
[M+Na-2H]- 253.92567 138.3
[M]+ 232.95045 135.1
[M]- 232.95155 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

No patent data available for this compound.