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]+ 220.124446 147.8
[M+Na]+ 242.106388 156.1
[M-H]- 218.109894 150.6
[M+NH4]+ 237.150993 165.0
[M+K]+ 258.080328 152.1
[M+H-H2O]+ 202.114430 138.6
[M+HCOO]- 264.115371 169.5
[M+CH3COO]- 278.131021 191.2
[M+Na-2H]- 240.091836 150.7
[M]+ 219.11662142 145.5
[M]- 219.11771858 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.