CID 222277

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

226.99458 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 140.2
[M+Na]+ 249.98380 151.7
[M-H]- 225.98730 146.9
[M+NH4]+ 245.02840 162.0
[M+K]+ 265.95774 140.7
[M+H-H2O]+ 209.99184 140.0
[M+HCOO]- 271.99278 162.5
[M+CH3COO]- 286.00843 189.8
[M+Na-2H]- 247.96925 147.0
[M]+ 226.99403 158.6
[M]- 226.99513 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