CID 121552972

5-cyclopropyl-3-(3-fluorophenyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C12H12FN3
SMILES
C1CC1C2=C(C(=NN2)C3=CC(=CC=C3)F)N
InChI
InChI=1S/C12H12FN3/c13-9-3-1-2-8(6-9)12-10(14)11(15-16-12)7-4-5-7/h1-3,6-7H,4-5,14H2,(H,15,16)
InChIKey
YJVQVQYMBOEUMI-UHFFFAOYSA-N
Compound name
5-cyclopropyl-3-(3-fluorophenyl)-1H-pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10153 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.10881 143.8
[M+Na]+ 240.09075 154.8
[M-H]- 216.09425 149.3
[M+NH4]+ 235.13535 155.9
[M+K]+ 256.06469 148.0
[M+H-H2O]+ 200.09879 135.2
[M+HCOO]- 262.09973 165.7
[M+CH3COO]- 276.11538 156.0
[M+Na-2H]- 238.07620 147.3
[M]+ 217.10098 142.0
[M]- 217.10208 142.0
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.