CID 43539927

N-[(2-fluorophenyl)methyl]-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C10H10FN3
SMILES
C1=CC=C(C(=C1)CNC2=CNN=C2)F
InChI
InChI=1S/C10H10FN3/c11-10-4-2-1-3-8(10)5-12-9-6-13-14-7-9/h1-4,6-7,12H,5H2,(H,13,14)
InChIKey
PDSIYANAENEXNZ-UHFFFAOYSA-N
Compound name
N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.08588 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.09316 137.5
[M+Na]+ 214.07510 145.6
[M-H]- 190.07860 139.2
[M+NH4]+ 209.11970 155.1
[M+K]+ 230.04904 141.1
[M+H-H2O]+ 174.08314 128.5
[M+HCOO]- 236.08408 160.0
[M+CH3COO]- 250.09973 149.9
[M+Na-2H]- 212.06055 144.0
[M]+ 191.08533 133.8
[M]- 191.08643 133.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.