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

7
Patents

232.08235 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.089626 147.3
[M+Na]+ 255.071568 154.4
[M-H]- 231.075074 148.1
[M+NH4]+ 250.116173 165.0
[M+K]+ 271.045508 152.7
[M+H-H2O]+ 215.079610 138.4
[M+HCOO]- 277.080551 168.1
[M+CH3COO]- 291.096201 197.3
[M+Na-2H]- 253.057016 150.6
[M]+ 232.08180142 142.5
[M]- 232.08289858 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