CID 10465375

3-chloro-1-methyl-5-(trifluoromethyl)-1h-pyrazol-4-amine

Structural Information

Molecular Formula
C5H5ClF3N3
SMILES
CN1C(=C(C(=N1)Cl)N)C(F)(F)F
InChI
InChI=1S/C5H5ClF3N3/c1-12-3(5(7,8)9)2(10)4(6)11-12/h10H2,1H3
InChIKey
SPTSKNNMCVAXPX-UHFFFAOYSA-N
Compound name
3-chloro-1-methyl-5-(trifluoromethyl)pyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.0124 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.019676 133.8
[M+Na]+ 222.001618 146.0
[M-H]- 198.005124 131.5
[M+NH4]+ 217.046223 153.2
[M+K]+ 237.975558 141.8
[M+H-H2O]+ 182.009660 125.8
[M+HCOO]- 244.010601 148.7
[M+CH3COO]- 258.026251 184.1
[M+Na-2H]- 219.987066 137.4
[M]+ 199.01185142 131.0
[M]- 199.01294858 131.0
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.