CID 75480705

2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide

Structural Information

Molecular Formula
C10H9BrF3NO
SMILES
C1=CC(=CC=C1CC(C(=O)N)Br)C(F)(F)F
InChI
InChI=1S/C10H9BrF3NO/c11-8(9(15)16)5-6-1-3-7(4-2-6)10(12,13)14/h1-4,8H,5H2,(H2,15,16)
InChIKey
ZJVZJRATFJKICO-UHFFFAOYSA-N
Compound name
2-bromo-3-[4-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.98196 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.98924 159.2
[M+Na]+ 317.97118 169.4
[M-H]- 293.97468 161.0
[M+NH4]+ 313.01578 177.4
[M+K]+ 333.94512 157.3
[M+H-H2O]+ 277.97922 156.1
[M+HCOO]- 339.98016 174.9
[M+CH3COO]- 353.99581 199.7
[M+Na-2H]- 315.95663 162.1
[M]+ 294.98141 171.9
[M]- 294.98251 171.9
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.