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]+ 289.99418 155.2
[M+Na]+ 311.97612 166.0
[M-H]- 287.97962 162.6
[M+NH4]+ 307.02072 175.8
[M+K]+ 327.95006 154.2
[M+H-H2O]+ 271.98416 155.2
[M+HCOO]- 333.98510 172.1
[M+CH3COO]- 348.00075 201.9
[M+Na-2H]- 309.96157 159.4
[M]+ 288.98635 176.5
[M]- 288.98745 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.