CID 136841796

3-bromo-2-(trifluoromethyl)-4h,5h,6h,7h-pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H7BrF3N3
SMILES
C1CNC2=C(C(=NN2C1)C(F)(F)F)Br
InChI
InChI=1S/C7H7BrF3N3/c8-4-5(7(9,10)11)13-14-3-1-2-12-6(4)14/h12H,1-3H2
InChIKey
JGQFOGRRHXPOSD-UHFFFAOYSA-N
Compound name
3-bromo-2-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.97754 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.98482 152.8
[M+Na]+ 291.96676 165.6
[M-H]- 267.97026 151.5
[M+NH4]+ 287.01136 171.5
[M+K]+ 307.94070 153.4
[M+H-H2O]+ 251.97480 150.2
[M+HCOO]- 313.97574 163.9
[M+CH3COO]- 327.99139 189.3
[M+Na-2H]- 289.95221 158.1
[M]+ 268.97699 164.3
[M]- 268.97809 164.3
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

No patent data available for this compound.