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

22
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 141.0
[M+Na]+ 227.07665 149.0
[M-H]- 203.08015 140.3
[M+NH4]+ 222.12125 159.3
[M+K]+ 243.05059 145.9
[M+H-H2O]+ 187.08469 132.9
[M+HCOO]- 249.08563 160.5
[M+CH3COO]- 263.10128 190.9
[M+Na-2H]- 225.06210 143.7
[M]+ 204.08688 133.3
[M]- 204.08798 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