CID 24694178

2-bromo-n-[(2-fluorophenyl)methyl]-3-methylbutanamide

Structural Information

Molecular Formula
C12H15BrFNO
SMILES
CC(C)C(C(=O)NCC1=CC=CC=C1F)Br
InChI
InChI=1S/C12H15BrFNO/c1-8(2)11(13)12(16)15-7-9-5-3-4-6-10(9)14/h3-6,8,11H,7H2,1-2H3,(H,15,16)
InChIKey
GTHBCOVKMPAFBJ-UHFFFAOYSA-N
Compound name
2-bromo-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.0321 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03938 160.0
[M+Na]+ 310.02132 168.7
[M-H]- 286.02482 164.4
[M+NH4]+ 305.06592 178.8
[M+K]+ 325.99526 157.4
[M+H-H2O]+ 270.02936 158.0
[M+HCOO]- 332.03030 178.3
[M+CH3COO]- 346.04595 201.3
[M+Na-2H]- 308.00677 162.5
[M]+ 287.03155 176.6
[M]- 287.03265 176.6
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.