CID 43244641

N-[(4-bromophenyl)methyl]-2-chloro-n-methylpropanamide

Structural Information

Molecular Formula
C11H13BrClNO
SMILES
CC(C(=O)N(C)CC1=CC=C(C=C1)Br)Cl
InChI
InChI=1S/C11H13BrClNO/c1-8(13)11(15)14(2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChIKey
ORFIDLNLRMDEJZ-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]-2-chloro-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9869 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.994176 155.2
[M+Na]+ 311.976118 166.0
[M-H]- 287.979624 162.6
[M+NH4]+ 307.020723 175.8
[M+K]+ 327.950058 154.2
[M+H-H2O]+ 271.984160 155.2
[M+HCOO]- 333.985101 172.1
[M+CH3COO]- 348.000751 201.9
[M+Na-2H]- 309.961566 159.4
[M]+ 288.98635142 176.5
[M]- 288.98744858 176.5
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

No patent data available for this compound.