CID 532060

N-(4-bromophenyl)-3-chloropropanamide

Structural Information

Molecular Formula
C9H9BrClNO
SMILES
C1=CC(=CC=C1NC(=O)CCCl)Br
InChI
InChI=1S/C9H9BrClNO/c10-7-1-3-8(4-2-7)12-9(13)5-6-11/h1-4H,5-6H2,(H,12,13)
InChIKey
VZDHQIUBGSISCC-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-3-chloropropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

260.9556 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96288 146.6
[M+Na]+ 283.94482 150.2
[M+NH4]+ 278.98942 151.7
[M+K]+ 299.91876 149.1
[M-H]- 259.94832 147.6
[M+Na-2H]- 281.93027 150.4
[M]+ 260.95505 146.4
[M]- 260.95615 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe