CID 68321220

3-(1-aminoethyl)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C9H11F3N2
SMILES
CC(C1=CC(=CC(=C1)N)C(F)(F)F)N
InChI
InChI=1S/C9H11F3N2/c1-5(13)6-2-7(9(10,11)12)4-8(14)3-6/h2-5H,13-14H2,1H3
InChIKey
SPYLLSKIPZGXNM-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

204.08743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.09471 143.8
[M+Na]+ 227.07665 151.3
[M+NH4]+ 222.12125 149.3
[M+K]+ 243.05059 147.2
[M-H]- 203.08015 141.7
[M+Na-2H]- 225.06210 147.4
[M]+ 204.08688 143.9
[M]- 204.08798 143.9
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