CID 125451544

N-[(3-amino-5-fluorophenyl)methyl]-2,2,2-trifluoroacetamide

Structural Information

Molecular Formula
C9H8F4N2O
SMILES
C1=C(C=C(C=C1N)F)CNC(=O)C(F)(F)F
InChI
InChI=1S/C9H8F4N2O/c10-6-1-5(2-7(14)3-6)4-15-8(16)9(11,12)13/h1-3H,4,14H2,(H,15,16)
InChIKey
YNRQDVJBFJKWIA-UHFFFAOYSA-N
Compound name
N-[(3-amino-5-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.05728 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06456 145.3
[M+Na]+ 259.04650 153.6
[M-H]- 235.05000 143.7
[M+NH4]+ 254.09110 162.4
[M+K]+ 275.02044 150.3
[M+H-H2O]+ 219.05454 135.9
[M+HCOO]- 281.05548 164.7
[M+CH3COO]- 295.07113 194.9
[M+Na-2H]- 257.03195 148.5
[M]+ 236.05673 138.0
[M]- 236.05783 138.0
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.