CID 610167

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

Structural Information

Molecular Formula
C8H7BrClNO
SMILES
CC(=O)NC1=C(C=C(C=C1)Br)Cl
InChI
InChI=1S/C8H7BrClNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKey
MITWNEIUIPGZKR-UHFFFAOYSA-N
Compound name
N-(4-bromo-2-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

246.93996 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.94724 140.9
[M+Na]+ 269.92918 153.8
[M-H]- 245.93268 147.6
[M+NH4]+ 264.97378 162.8
[M+K]+ 285.90312 141.0
[M+H-H2O]+ 229.93722 141.7
[M+HCOO]- 291.93816 159.2
[M+CH3COO]- 305.95381 190.5
[M+Na-2H]- 267.91463 147.9
[M]+ 246.93941 160.8
[M]- 246.94051 160.8
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