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]+ 217.09471 143.4
[M+Na]+ 239.07665 152.5
[M-H]- 215.08015 142.5
[M+NH4]+ 234.12125 163.4
[M+K]+ 255.05059 148.4
[M+H-H2O]+ 199.08469 135.0
[M+HCOO]- 261.08563 161.2
[M+CH3COO]- 275.10128 189.0
[M+Na-2H]- 237.06210 147.7
[M]+ 216.08688 137.4
[M]- 216.08798 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.