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

38
Patents

204.08743 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.094706 141.0
[M+Na]+ 227.076648 149.0
[M-H]- 203.080154 140.3
[M+NH4]+ 222.121253 159.3
[M+K]+ 243.050588 145.9
[M+H-H2O]+ 187.084690 132.9
[M+HCOO]- 249.085631 160.5
[M+CH3COO]- 263.101281 190.9
[M+Na-2H]- 225.062096 143.7
[M]+ 204.08688142 133.3
[M]- 204.08797858 133.3
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