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]+ 238.115036 150.5
[M+Na]+ 260.096978 159.7
[M-H]- 236.100484 152.2
[M+NH4]+ 255.141583 167.1
[M+K]+ 276.070918 155.3
[M+H-H2O]+ 220.105020 140.5
[M+HCOO]- 282.105961 171.0
[M+CH3COO]- 296.121611 195.1
[M+Na-2H]- 258.082426 152.0
[M]+ 237.10721142 147.4
[M]- 237.10830858 147.4
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.