CID 3279301

1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C11H9ClF3N3
SMILES
CC1=NN(C(=C1)N)C2=C(C=CC(=C2)C(F)(F)F)Cl
InChI
InChI=1S/C11H9ClF3N3/c1-6-4-10(16)18(17-6)9-5-7(11(13,14)15)2-3-8(9)12/h2-5H,16H2,1H3
InChIKey
SLSLMDNIWHDPSC-UHFFFAOYSA-N
Compound name
2-[2-chloro-5-(trifluoromethyl)phenyl]-5-methylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

275.0437 Da
Monoisotopic Mass

3.5
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

No literature data available for this compound.

Patent stripe

patents stripe