CID 28812042

4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1h-pyrazol-3-imine

Structural Information

Molecular Formula
C11H9ClF3N3
SMILES
CN1C(=C(C(=N1)C(F)(F)F)C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C11H9ClF3N3/c1-18-10(16)8(9(17-18)11(13,14)15)6-2-4-7(12)5-3-6/h2-5H,16H2,1H3
InChIKey
VQCZHBCAFWLDKX-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

275.0437 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.05098 155.9
[M+Na]+ 298.03292 167.9
[M-H]- 274.03642 156.7
[M+NH4]+ 293.07752 172.2
[M+K]+ 314.00686 161.5
[M+H-H2O]+ 258.04096 146.3
[M+HCOO]- 320.04190 170.3
[M+CH3COO]- 334.05755 198.7
[M+Na-2H]- 296.01837 157.9
[M]+ 275.04315 153.7
[M]- 275.04425 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.