CID 81839763

2-(2,4-difluorophenyl)-1-(5-methylpyrimidin-2-yl)ethan-1-amine hydrochloride

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 155.1
[M+Na]+ 272.09698 164.1
[M-H]- 248.10048 156.5
[M+NH4]+ 267.14158 169.3
[M+K]+ 288.07092 158.9
[M+H-H2O]+ 232.10502 144.5
[M+HCOO]- 294.10596 174.4
[M+CH3COO]- 308.12161 198.2
[M+Na-2H]- 270.08243 158.6
[M]+ 249.10721 151.6
[M]- 249.10831 151.6
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.