CID 2736143

175276-40-1

Structural Information

Molecular Formula
C9H2F6N4
SMILES
C1=C(N2C(=C(C=N2)C#N)N=C1C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C9H2F6N4/c10-8(11,12)5-1-6(9(13,14)15)19-7(18-5)4(2-16)3-17-19/h1,3H
InChIKey
WVNWOBVYCHLPGW-UHFFFAOYSA-N
Compound name
5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

280.01837 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.02565 147.7
[M+Na]+ 303.00759 161.1
[M-H]- 279.01109 140.9
[M+NH4]+ 298.05219 160.6
[M+K]+ 318.98153 156.1
[M+H-H2O]+ 263.01563 129.0
[M+HCOO]- 325.01657 157.6
[M+CH3COO]- 339.03222 208.0
[M+Na-2H]- 300.99304 152.4
[M]+ 280.01782 137.5
[M]- 280.01892 137.5
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

patents stripe