CID 1512511

(r)-1-[3,5-bis(trifluoromethyl)phenyl]ethylamine

Structural Information

Molecular Formula
C10H9F6N
SMILES
C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)N
InChI
InChI=1S/C10H9F6N/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-5H,17H2,1H3/t5-/m1/s1
InChIKey
PFVWEAYXWZFSSK-RXMQYKEDSA-N
Compound name
(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

168
Patents

257.0639 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.071176 149.4
[M+Na]+ 280.053118 158.5
[M-H]- 256.056624 145.4
[M+NH4]+ 275.097723 166.1
[M+K]+ 296.027058 154.7
[M+H-H2O]+ 240.061160 139.3
[M+HCOO]- 302.062101 163.4
[M+CH3COO]- 316.077751 198.1
[M+Na-2H]- 278.038566 151.4
[M]+ 257.06335142 139.3
[M]- 257.06444858 139.3
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