CID 5084375

2-bromo-n-(3-chloro-2-methylphenyl)butanamide

Structural Information

Molecular Formula
C11H13BrClNO
SMILES
CCC(C(=O)NC1=C(C(=CC=C1)Cl)C)Br
InChI
InChI=1S/C11H13BrClNO/c1-3-8(12)11(15)14-10-6-4-5-9(13)7(10)2/h4-6,8H,3H2,1-2H3,(H,14,15)
InChIKey
ULVZKBBHUYBRTD-UHFFFAOYSA-N
Compound name
2-bromo-N-(3-chloro-2-methylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.9869 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.994176 155.2
[M+Na]+ 311.976118 166.6
[M-H]- 287.979624 161.4
[M+NH4]+ 307.020723 175.4
[M+K]+ 327.950058 153.4
[M+H-H2O]+ 271.984160 155.4
[M+HCOO]- 333.985101 171.6
[M+CH3COO]- 348.000751 199.8
[M+Na-2H]- 309.961566 159.3
[M]+ 288.98635142 175.5
[M]- 288.98744858 175.5
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.