CID 15888277

N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-n-methylacetamide

Structural Information

Molecular Formula
C10H11F3N2O
SMILES
CN(CC1=CC(=CC=C1)N)C(=O)C(F)(F)F
InChI
InChI=1S/C10H11F3N2O/c1-15(9(16)10(11,12)13)6-7-3-2-4-8(14)5-7/h2-5H,6,14H2,1H3
InChIKey
MGNHZKCQNNTUNI-UHFFFAOYSA-N
Compound name
N-[(3-aminophenyl)methyl]-2,2,2-trifluoro-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

232.08235 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08963 147.3
[M+Na]+ 255.07157 154.4
[M-H]- 231.07507 148.1
[M+NH4]+ 250.11617 165.0
[M+K]+ 271.04551 152.7
[M+H-H2O]+ 215.07961 138.4
[M+HCOO]- 277.08055 168.1
[M+CH3COO]- 291.09620 197.3
[M+Na-2H]- 253.05702 150.6
[M]+ 232.08180 142.5
[M]- 232.08290 142.5
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

patents stripe