CID 19619546

4-bromo-1-(2,2,2-trifluoroethyl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C5H5BrF3N3
SMILES
C1=C(C(=NN1CC(F)(F)F)N)Br
InChI
InChI=1S/C5H5BrF3N3/c6-3-1-12(11-4(3)10)2-5(7,8)9/h1H,2H2,(H2,10,11)
InChIKey
NYAYADBWPUJNNP-UHFFFAOYSA-N
Compound name
4-bromo-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

242.96188 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.96916 142.6
[M+Na]+ 265.95110 156.3
[M-H]- 241.95460 143.0
[M+NH4]+ 260.99570 162.7
[M+K]+ 281.92504 144.6
[M+H-H2O]+ 225.95914 139.4
[M+HCOO]- 287.96008 160.0
[M+CH3COO]- 301.97573 189.2
[M+Na-2H]- 263.93655 148.0
[M]+ 242.96133 156.3
[M]- 242.96243 156.3
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