CID 66423940

2402829-12-1

Structural Information

Molecular Formula
C10H7ClF3N3
SMILES
C1=CC(=CC(=C1)Cl)N2C(=C(C=N2)N)C(F)(F)F
InChI
InChI=1S/C10H7ClF3N3/c11-6-2-1-3-7(4-6)17-9(10(12,13)14)8(15)5-16-17/h1-5H,15H2
InChIKey
GBXRJWXZNJATKW-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.02805 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.03533 150.9
[M+Na]+ 284.01727 162.4
[M-H]- 260.02077 151.5
[M+NH4]+ 279.06187 167.5
[M+K]+ 299.99121 156.2
[M+H-H2O]+ 244.02531 141.1
[M+HCOO]- 306.02625 165.6
[M+CH3COO]- 320.04190 194.5
[M+Na-2H]- 282.00272 154.2
[M]+ 261.02750 147.9
[M]- 261.02860 147.9
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

No patent data available for this compound.