CID 64754280

1484135-26-3

Structural Information

Molecular Formula
C10H13BrF3N3
SMILES
C1CC(CCC1C(F)(F)F)N2C(=C(C=N2)Br)N
InChI
InChI=1S/C10H13BrF3N3/c11-8-5-16-17(9(8)15)7-3-1-6(2-4-7)10(12,13)14/h5-7H,1-4,15H2
InChIKey
RVYPBQJSZNTKEP-UHFFFAOYSA-N
Compound name
4-bromo-2-[4-(trifluoromethyl)cyclohexyl]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.02448 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.03176 165.7
[M+Na]+ 334.01370 176.4
[M-H]- 310.01720 168.1
[M+NH4]+ 329.05830 183.0
[M+K]+ 349.98764 163.9
[M+H-H2O]+ 294.02174 161.8
[M+HCOO]- 356.02268 178.8
[M+CH3COO]- 370.03833 201.0
[M+Na-2H]- 331.99915 167.1
[M]+ 311.02393 175.4
[M]- 311.02503 175.4
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.