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 143.2
[M+Na]+ 228.09075 154.1
[M-H]- 204.09425 146.8
[M+NH4]+ 223.13535 161.7
[M+K]+ 244.06469 149.9
[M+H-H2O]+ 188.09879 134.7
[M+HCOO]- 250.09973 166.2
[M+CH3COO]- 264.11538 189.7
[M+Na-2H]- 226.07620 146.3
[M]+ 205.10098 141.9
[M]- 205.10208 141.9
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