CID 25247475

4-bromo-5-(trifluoromethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C4H3BrF3N3
SMILES
C1(=C(NN=C1N)C(F)(F)F)Br
InChI
InChI=1S/C4H3BrF3N3/c5-1-2(4(6,7)8)10-11-3(1)9/h(H3,9,10,11)
InChIKey
ZHAMWMKUYVFDJH-UHFFFAOYSA-N
Compound name
4-bromo-5-(trifluoromethyl)-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

228.94624 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.95352 138.8
[M+Na]+ 251.93546 152.4
[M-H]- 227.93896 138.0
[M+NH4]+ 246.98006 158.7
[M+K]+ 267.90940 140.0
[M+H-H2O]+ 211.94350 135.9
[M+HCOO]- 273.94444 155.0
[M+CH3COO]- 287.96009 184.0
[M+Na-2H]- 249.92091 144.2
[M]+ 228.94569 150.3
[M]- 228.94679 150.3
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.