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

159
Patents

257.0639 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.07118 149.4
[M+Na]+ 280.05312 158.5
[M-H]- 256.05662 145.4
[M+NH4]+ 275.09772 166.1
[M+K]+ 296.02706 154.7
[M+H-H2O]+ 240.06116 139.3
[M+HCOO]- 302.06210 163.4
[M+CH3COO]- 316.07775 198.1
[M+Na-2H]- 278.03857 151.4
[M]+ 257.06335 139.3
[M]- 257.06445 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