CID 63037242

4-(2-chloro-4-fluorophenyl)-1,3-dimethyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H11ClFN3
SMILES
CC1=NN(C(=C1C2=C(C=C(C=C2)F)Cl)N)C
InChI
InChI=1S/C11H11ClFN3/c1-6-10(11(14)16(2)15-6)8-4-3-7(13)5-9(8)12/h3-5H,14H2,1-2H3
InChIKey
KZSPGJBDGVYELW-UHFFFAOYSA-N
Compound name
4-(2-chloro-4-fluorophenyl)-2,5-dimethylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

239.06255 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06983 150.5
[M+Na]+ 262.05177 163.0
[M-H]- 238.05527 154.1
[M+NH4]+ 257.09637 168.6
[M+K]+ 278.02571 156.9
[M+H-H2O]+ 222.05981 142.6
[M+HCOO]- 284.06075 168.7
[M+CH3COO]- 298.07640 194.7
[M+Na-2H]- 260.03722 152.2
[M]+ 239.06200 151.5
[M]- 239.06310 151.5
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