CID 117042

N-methyl-n-trifluoroacetyl-2-methylamino-5-nitrobenzenemethanamine

Structural Information

Molecular Formula
C11H12F3N3O3
SMILES
CNC1=C(C=C(C=C1)[N+](=O)[O-])CN(C)C(=O)C(F)(F)F
InChI
InChI=1S/C11H12F3N3O3/c1-15-9-4-3-8(17(19)20)5-7(9)6-16(2)10(18)11(12,13)14/h3-5,15H,6H2,1-2H3
InChIKey
SRHCNVZNWRKMFN-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-N-methyl-N-[[2-(methylamino)-5-nitrophenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.08307 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09035 156.7
[M+Na]+ 314.07229 162.9
[M-H]- 290.07579 158.0
[M+NH4]+ 309.11689 171.5
[M+K]+ 330.04623 157.7
[M+H-H2O]+ 274.08033 152.1
[M+HCOO]- 336.08127 179.0
[M+CH3COO]- 350.09692 202.9
[M+Na-2H]- 312.05774 161.9
[M]+ 291.08252 152.5
[M]- 291.08362 152.5
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

No patent data available for this compound.