CID 65200884

2-(2,4-difluorophenyl)-1-(1-methyl-1h-pyrazol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C12H13F2N3
SMILES
CN1C=CC(=N1)C(CC2=C(C=C(C=C2)F)F)N
InChI
InChI=1S/C12H13F2N3/c1-17-5-4-12(16-17)11(15)6-8-2-3-9(13)7-10(8)14/h2-5,7,11H,6,15H2,1H3
InChIKey
QHHLOSFPODFEBP-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(1-methylpyrazol-3-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 150.5
[M+Na]+ 260.09698 159.7
[M-H]- 236.10048 152.2
[M+NH4]+ 255.14158 167.1
[M+K]+ 276.07092 155.3
[M+H-H2O]+ 220.10502 140.5
[M+HCOO]- 282.10596 171.0
[M+CH3COO]- 296.12161 195.1
[M+Na-2H]- 258.08243 152.0
[M]+ 237.10721 147.4
[M]- 237.10831 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.