CID 43370139

2-(2,2,2-trifluoroethyl)-2,3-dihydro-1h-isoindol-4-amine

Structural Information

Molecular Formula
C10H11F3N2
SMILES
C1C2=C(CN1CC(F)(F)F)C(=CC=C2)N
InChI
InChI=1S/C10H11F3N2/c11-10(12,13)6-15-4-7-2-1-3-9(14)8(7)5-15/h1-3H,4-6,14H2
InChIKey
VWVQSXKERDEZAA-UHFFFAOYSA-N
Compound name
2-(2,2,2-trifluoroethyl)-1,3-dihydroisoindol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.08743 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.094706 143.4
[M+Na]+ 239.076648 152.5
[M-H]- 215.080154 142.5
[M+NH4]+ 234.121253 163.4
[M+K]+ 255.050588 148.4
[M+H-H2O]+ 199.084690 135.0
[M+HCOO]- 261.085631 161.2
[M+CH3COO]- 275.101281 189.0
[M+Na-2H]- 237.062096 147.7
[M]+ 216.08688142 137.4
[M]- 216.08797858 137.4
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.