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 166.9
[M+Na]+ 342.06878 175.3
[M-H]- 318.07228 165.6
[M+NH4]+ 337.11338 180.6
[M+K]+ 358.04272 169.5
[M+H-H2O]+ 302.07682 154.9
[M+HCOO]- 364.07776 180.6
[M+CH3COO]- 378.09341 208.6
[M+Na-2H]- 340.05423 168.8
[M]+ 319.07901 156.5
[M]- 319.08011 156.5
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