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]+ 200.01968 133.8
[M+Na]+ 222.00162 146.0
[M-H]- 198.00512 131.5
[M+NH4]+ 217.04622 153.2
[M+K]+ 237.97556 141.8
[M+H-H2O]+ 182.00966 125.8
[M+HCOO]- 244.01060 148.7
[M+CH3COO]- 258.02625 184.1
[M+Na-2H]- 219.98707 137.4
[M]+ 199.01185 131.0
[M]- 199.01295 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.