CID 24699169

2-bromo-n-(2-fluorophenyl)-3-methylbutanamide

Structural Information

Molecular Formula
C11H13BrFNO
SMILES
CC(C)C(C(=O)NC1=CC=CC=C1F)Br
InChI
InChI=1S/C11H13BrFNO/c1-7(2)10(12)11(15)14-9-6-4-3-5-8(9)13/h3-7,10H,1-2H3,(H,14,15)
InChIKey
YQQTWZCTTQOPDD-UHFFFAOYSA-N
Compound name
2-bromo-N-(2-fluorophenyl)-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.01645 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.02373 152.6
[M+Na]+ 296.00567 153.7
[M+NH4]+ 291.05027 156.3
[M+K]+ 311.97961 154.4
[M-H]- 272.00917 151.9
[M+Na-2H]- 293.99112 154.6
[M]+ 273.01590 151.2
[M]- 273.01700 151.2
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.