CID 28445083

1019564-99-8

Structural Information

Molecular Formula
C14H13F3N2
SMILES
C1=CC=NC(=C1)CNCC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C14H13F3N2/c15-14(16,17)12-5-3-4-11(8-12)9-18-10-13-6-1-2-7-19-13/h1-8,18H,9-10H2
InChIKey
PMSIFDQDPDIBIG-UHFFFAOYSA-N
Compound name
N-(pyridin-2-ylmethyl)-1-[3-(trifluoromethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1031 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11038 157.3
[M+Na]+ 289.09232 164.7
[M-H]- 265.09582 158.5
[M+NH4]+ 284.13692 171.9
[M+K]+ 305.06626 159.4
[M+H-H2O]+ 249.10036 146.4
[M+HCOO]- 311.10130 176.5
[M+CH3COO]- 325.11695 198.5
[M+Na-2H]- 287.07777 163.9
[M]+ 266.10255 152.6
[M]- 266.10365 152.6
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

No patent data available for this compound.