CID 105106667

1972828-76-4

Structural Information

Molecular Formula
C13H10ClF3N2
SMILES
C1=CC(=CC(=C1)Cl)C(C2=NC=C(C=C2)C(F)(F)F)N
InChI
InChI=1S/C13H10ClF3N2/c14-10-3-1-2-8(6-10)12(18)11-5-4-9(7-19-11)13(15,16)17/h1-7,12H,18H2
InChIKey
YDYSRPIOYDFCSU-UHFFFAOYSA-N
Compound name
(3-chlorophenyl)-[5-(trifluoromethyl)pyridin-2-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.04846 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05574 158.6
[M+Na]+ 309.03768 167.9
[M-H]- 285.04118 159.7
[M+NH4]+ 304.08228 173.3
[M+K]+ 325.01162 161.3
[M+H-H2O]+ 269.04572 148.9
[M+HCOO]- 331.04666 172.0
[M+CH3COO]- 345.06231 200.6
[M+Na-2H]- 307.02313 162.4
[M]+ 286.04791 154.7
[M]- 286.04901 154.7
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.