CID 24698531

2-bromo-n-(2,5-dichlorophenyl)-3-methylbutanamide

Structural Information

Molecular Formula
C11H12BrCl2NO
SMILES
CC(C)C(C(=O)NC1=C(C=CC(=C1)Cl)Cl)Br
InChI
InChI=1S/C11H12BrCl2NO/c1-6(2)10(12)11(16)15-9-5-7(13)3-4-8(9)14/h3-6,10H,1-2H3,(H,15,16)
InChIKey
AOFVNUQREPGTSD-UHFFFAOYSA-N
Compound name
2-bromo-N-(2,5-dichlorophenyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.94794 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.95522 159.1
[M+Na]+ 345.93716 170.8
[M-H]- 321.94066 164.8
[M+NH4]+ 340.98176 178.4
[M+K]+ 361.91110 156.7
[M+H-H2O]+ 305.94520 160.3
[M+HCOO]- 367.94614 169.9
[M+CH3COO]- 381.96179 204.7
[M+Na-2H]- 343.92261 161.6
[M]+ 322.94739 179.8
[M]- 322.94849 179.8
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.