CID 69200

N-(2-bromo-4-methylphenyl)acetamide

Structural Information

Molecular Formula
C9H10BrNO
SMILES
CC1=CC(=C(C=C1)NC(=O)C)Br
InChI
InChI=1S/C9H10BrNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey
UUDGTWKIIUEVJD-UHFFFAOYSA-N
Compound name
N-(2-bromo-4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

54
Patents

226.99458 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 140.2
[M+Na]+ 249.983798 151.7
[M-H]- 225.987304 146.9
[M+NH4]+ 245.028403 162.0
[M+K]+ 265.957738 140.7
[M+H-H2O]+ 209.991840 140.0
[M+HCOO]- 271.992781 162.5
[M+CH3COO]- 286.008431 189.8
[M+Na-2H]- 247.969246 147.0
[M]+ 226.99403142 158.6
[M]- 226.99512858 158.6
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

patents stripe