CID 3678007

N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide

Structural Information

Molecular Formula
C10H11BrClNO
SMILES
CC(C1=CC=CC=C1Br)NC(=O)CCl
InChI
InChI=1S/C10H11BrClNO/c1-7(13-10(14)6-12)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,13,14)
InChIKey
RRBILYKCBGQDEH-UHFFFAOYSA-N
Compound name
N-[1-(2-bromophenyl)ethyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

274.97125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.97853 151.2
[M+Na]+ 297.96047 162.1
[M-H]- 273.96397 157.3
[M+NH4]+ 293.00507 171.6
[M+K]+ 313.93441 149.2
[M+H-H2O]+ 257.96851 151.5
[M+HCOO]- 319.96945 167.9
[M+CH3COO]- 333.98510 195.9
[M+Na-2H]- 295.94592 156.5
[M]+ 274.97070 170.9
[M]- 274.97180 170.9
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

No patent data available for this compound.