CID 43124204

1152554-04-5

Structural Information

Molecular Formula
C12H14FN3
SMILES
CN1C=C(C=N1)C(CC2=CC=C(C=C2)F)N
InChI
InChI=1S/C12H14FN3/c1-16-8-10(7-15-16)12(14)6-9-2-4-11(13)5-3-9/h2-5,7-8,12H,6,14H2,1H3
InChIKey
VGRMKHIHZFMJAM-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.11717 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.12445 147.8
[M+Na]+ 242.10639 156.1
[M-H]- 218.10989 150.6
[M+NH4]+ 237.15099 165.0
[M+K]+ 258.08033 152.1
[M+H-H2O]+ 202.11443 138.6
[M+HCOO]- 264.11537 169.5
[M+CH3COO]- 278.13102 191.2
[M+Na-2H]- 240.09184 150.7
[M]+ 219.11662 145.5
[M]- 219.11772 145.5
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.