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 155.3
[M+Na]+ 296.00567 164.4
[M-H]- 272.00917 159.9
[M+NH4]+ 291.05027 174.7
[M+K]+ 311.97961 153.4
[M+H-H2O]+ 256.01371 153.5
[M+HCOO]- 318.01465 173.9
[M+CH3COO]- 332.03030 198.5
[M+Na-2H]- 293.99112 158.3
[M]+ 273.01590 171.5
[M]- 273.01700 171.5
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.