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

No literature data available for this compound.

Patent stripe

patents stripe