CID 499413

Nsc676731

Structural Information

Molecular Formula
C13H9F3N2
SMILES
C1=CC=NC(=C1)C=NC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C13H9F3N2/c14-13(15,16)10-4-6-11(7-5-10)18-9-12-3-1-2-8-17-12/h1-9H
InChIKey
VXJHAEUEYUMYJL-UHFFFAOYSA-N
Compound name
1-pyridin-2-yl-N-[4-(trifluoromethyl)phenyl]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.07178 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.07906 151.8
[M+Na]+ 273.06100 160.5
[M-H]- 249.06450 154.6
[M+NH4]+ 268.10560 167.8
[M+K]+ 289.03494 155.8
[M+H-H2O]+ 233.06904 140.9
[M+HCOO]- 295.06998 173.1
[M+CH3COO]- 309.08563 196.6
[M+Na-2H]- 271.04645 159.4
[M]+ 250.07123 147.8
[M]- 250.07233 147.8
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.