CID 39240895

1-(3-fluorophenyl)-3,5-dimethyl-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C11H12FN3
SMILES
CC1=C(C(=NN1C2=CC(=CC=C2)F)C)N
InChI
InChI=1S/C11H12FN3/c1-7-11(13)8(2)15(14-7)10-5-3-4-9(12)6-10/h3-6H,13H2,1-2H3
InChIKey
PJVQLYYBMGQTKN-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3,5-dimethylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

205.10153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.10881 144.8
[M+Na]+ 228.09075 157.7
[M+NH4]+ 223.13535 152.5
[M+K]+ 244.06469 153.0
[M-H]- 204.09425 147.0
[M+Na-2H]- 226.07620 151.9
[M]+ 205.10098 147.1
[M]- 205.10208 147.1
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

patents stripe