CID 62790847

1466763-07-4

Structural Information

Molecular Formula
C14H11ClF3NO
SMILES
C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)N)OC(F)(F)F
InChI
InChI=1S/C14H11ClF3NO/c15-10-7-5-9(6-8-10)13(19)11-3-1-2-4-12(11)20-14(16,17)18/h1-8,13H,19H2
InChIKey
GOISPFRMQDHUCD-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.04813 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05541 163.7
[M+Na]+ 324.03735 174.4
[M+NH4]+ 319.08195 169.9
[M+K]+ 340.01129 168.1
[M-H]- 300.04085 163.5
[M+Na-2H]- 322.02280 170.2
[M]+ 301.04758 165.3
[M]- 301.04868 165.3
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

No patent data available for this compound.