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]+ 218.108806 143.8
[M+Na]+ 240.090748 154.8
[M-H]- 216.094254 149.3
[M+NH4]+ 235.135353 155.9
[M+K]+ 256.064688 148.0
[M+H-H2O]+ 200.098790 135.2
[M+HCOO]- 262.099731 165.7
[M+CH3COO]- 276.115381 156.0
[M+Na-2H]- 238.076196 147.3
[M]+ 217.10098142 142.0
[M]- 217.10207858 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.