CID 7018636

869951-80-4

Structural Information

Molecular Formula
C9H6F5N3
SMILES
CC1=NC2=CC=NN2C(=C1)C(C(F)(F)F)(F)F
InChI
InChI=1S/C9H6F5N3/c1-5-4-6(8(10,11)9(12,13)14)17-7(16-5)2-3-15-17/h2-4H,1H3
InChIKey
PSBMSGAGWRVTBS-UHFFFAOYSA-N
Compound name
5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.04819 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05547 148.4
[M+Na]+ 274.03741 161.3
[M-H]- 250.04091 143.9
[M+NH4]+ 269.08201 164.9
[M+K]+ 290.01135 156.6
[M+H-H2O]+ 234.04545 137.3
[M+HCOO]- 296.04639 162.4
[M+CH3COO]- 310.06204 193.1
[M+Na-2H]- 272.02286 155.1
[M]+ 251.04764 144.7
[M]- 251.04874 144.7
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.