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]+ 233.95828 137.6
[M+Na]+ 255.94022 149.1
[M-H]- 231.94372 144.2
[M+NH4]+ 250.98482 161.1
[M+K]+ 271.91416 137.7
[M+H-H2O]+ 215.94826 137.5
[M+HCOO]- 277.94920 156.4
[M+CH3COO]- 291.96485 185.7
[M+Na-2H]- 253.92567 142.0
[M]+ 232.95045 157.4
[M]- 232.95155 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.