CID 66545292

2-(2-bromo-5-methoxyphenyl)-n-methylacetamide

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
CNC(=O)CC1=C(C=CC(=C1)OC)Br
InChI
InChI=1S/C10H12BrNO2/c1-12-10(13)6-7-5-8(14-2)3-4-9(7)11/h3-5H,6H2,1-2H3,(H,12,13)
InChIKey
CSSDUGGOZLYHIF-UHFFFAOYSA-N
Compound name
2-(2-bromo-5-methoxyphenyl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 147.6
[M+Na]+ 279.99435 158.4
[M-H]- 255.99785 154.0
[M+NH4]+ 275.03895 168.1
[M+K]+ 295.96829 147.7
[M+H-H2O]+ 240.00239 146.8
[M+HCOO]- 302.00333 169.7
[M+CH3COO]- 316.01898 194.5
[M+Na-2H]- 277.97980 153.7
[M]+ 257.00458 167.6
[M]- 257.00568 167.6
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.