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

6
Patents

260.9556 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.962876 146.2
[M+Na]+ 283.944818 157.8
[M-H]- 259.948324 152.3
[M+NH4]+ 278.989423 167.2
[M+K]+ 299.918758 144.7
[M+H-H2O]+ 243.952860 146.6
[M+HCOO]- 305.953801 164.1
[M+CH3COO]- 319.969451 192.3
[M+Na-2H]- 281.930266 153.2
[M]+ 260.95505142 166.1
[M]- 260.95614858 166.1
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