CID 64559854

1462345-69-2

Structural Information

Molecular Formula
C12H13F2N3
SMILES
CN1C=C(C=N1)C(CC2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C12H13F2N3/c1-17-7-9(6-16-17)12(15)4-8-2-3-10(13)5-11(8)14/h2-3,5-7,12H,4,15H2,1H3
InChIKey
KAQTYVQAILFAHE-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.10776 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11504 152.8
[M+Na]+ 260.09698 163.4
[M+NH4]+ 255.14158 159.0
[M+K]+ 276.07092 159.2
[M-H]- 236.10048 152.9
[M+Na-2H]- 258.08243 158.5
[M]+ 237.10721 154.0
[M]- 237.10831 154.0
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.