CID 51889861

N-[(4-bromothiophen-2-yl)methyl]-2-chloro-n-methylacetamide

Structural Information

Molecular Formula
C8H9BrClNOS
SMILES
CN(CC1=CC(=CS1)Br)C(=O)CCl
InChI
InChI=1S/C8H9BrClNOS/c1-11(8(12)3-10)4-7-2-6(9)5-13-7/h2,5H,3-4H2,1H3
InChIKey
YRIFBTFJOFKIJM-UHFFFAOYSA-N
Compound name
N-[(4-bromothiophen-2-yl)methyl]-2-chloro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.92767 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.93495 147.6
[M+Na]+ 303.91689 160.5
[M-H]- 279.92039 155.9
[M+NH4]+ 298.96149 171.0
[M+K]+ 319.89083 148.3
[M+H-H2O]+ 263.92493 148.3
[M+HCOO]- 325.92587 162.1
[M+CH3COO]- 339.94152 196.3
[M+Na-2H]- 301.90234 150.0
[M]+ 280.92712 171.0
[M]- 280.92822 171.0
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.