CID 81839763

2445785-01-1

Structural Information

Molecular Formula
C13H13F2N3
SMILES
CC1=CN=C(N=C1)C(CC2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C13H13F2N3/c1-8-6-17-13(18-7-8)12(16)4-9-2-3-10(14)5-11(9)15/h2-3,5-7,12H,4,16H2,1H3
InChIKey
PTQDRSGCHFCPSY-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.11504 155.5
[M+Na]+ 272.09698 167.9
[M+NH4]+ 267.14158 161.9
[M+K]+ 288.07092 161.2
[M-H]- 248.10048 156.5
[M+Na-2H]- 270.08243 162.8
[M]+ 249.10721 157.3
[M]- 249.10831 157.3
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.