CID 186113

4-bromo-n-methylbenzamide

Structural Information

Molecular Formula
C8H8BrNO
SMILES
CNC(=O)C1=CC=C(C=C1)Br
InChI
InChI=1S/C8H8BrNO/c1-10-8(11)6-2-4-7(9)5-3-6/h2-5H,1H3,(H,10,11)
InChIKey
DXCFWNVWQTYPOC-UHFFFAOYSA-N
Compound name
4-bromo-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

248
Patents

212.97893 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 135.7
[M+Na]+ 235.96815 138.8
[M+NH4]+ 231.01275 140.8
[M+K]+ 251.94209 138.9
[M-H]- 211.97165 136.8
[M+Na-2H]- 233.95360 139.9
[M]+ 212.97838 135.2
[M]- 212.97948 135.2
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

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