CID 59689163

2243521-30-2

Structural Information

Molecular Formula
C15H11F6N
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)C(F)(F)F)N)C(F)(F)F
InChI
InChI=1S/C15H11F6N/c16-14(17,18)11-5-1-9(2-6-11)13(22)10-3-7-12(8-4-10)15(19,20)21/h1-8,13H,22H2
InChIKey
MCTOBGVMLOBYTJ-UHFFFAOYSA-N
Compound name
bis[4-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

319.07956 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08684 175.9
[M+Na]+ 342.06878 181.6
[M+NH4]+ 337.11338 178.5
[M+K]+ 358.04272 176.9
[M-H]- 318.07228 171.5
[M+Na-2H]- 340.05423 178.4
[M]+ 319.07901 175.2
[M]- 319.08011 175.2
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