CID 5095929

N-(2-bromophenyl)-3-chloropropanamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

260.9556 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.96288 146.2
[M+Na]+ 283.94482 157.8
[M-H]- 259.94832 152.3
[M+NH4]+ 278.98942 167.2
[M+K]+ 299.91876 144.7
[M+H-H2O]+ 243.95286 146.6
[M+HCOO]- 305.95380 164.1
[M+CH3COO]- 319.96945 192.3
[M+Na-2H]- 281.93027 153.2
[M]+ 260.95505 166.1
[M]- 260.95615 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