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]+ 289.99418 155.2
[M+Na]+ 311.97612 166.6
[M-H]- 287.97962 161.4
[M+NH4]+ 307.02072 175.4
[M+K]+ 327.95006 153.4
[M+H-H2O]+ 271.98416 155.4
[M+HCOO]- 333.98510 171.6
[M+CH3COO]- 348.00075 199.8
[M+Na-2H]- 309.96157 159.3
[M]+ 288.98635 175.5
[M]- 288.98745 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.