CID 10243267

163563-17-5

Structural Information

Molecular Formula
C12H9F3N2
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=CN=C(C=C2)N
InChI
InChI=1S/C12H9F3N2/c13-12(14,15)10-3-1-2-8(6-10)9-4-5-11(16)17-7-9/h1-7H,(H2,16,17)
InChIKey
HZNFABRHAXANIU-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.07178 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07906 148.9
[M+Na]+ 261.06100 158.2
[M-H]- 237.06450 150.4
[M+NH4]+ 256.10560 164.7
[M+K]+ 277.03494 153.0
[M+H-H2O]+ 221.06904 138.7
[M+HCOO]- 283.06998 168.2
[M+CH3COO]- 297.08563 193.0
[M+Na-2H]- 259.04645 154.8
[M]+ 238.07123 142.9
[M]- 238.07233 142.9
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