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 141.4
[M+Na]+ 269.92918 145.6
[M+NH4]+ 264.97378 146.7
[M+K]+ 285.90312 145.0
[M-H]- 245.93268 142.6
[M+Na-2H]- 267.91463 145.5
[M]+ 246.93941 141.4
[M]- 246.94051 141.4
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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