CID 84687193

5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H3ClF3N3
SMILES
C1=CN2C(=CC(=N2)C(F)(F)F)N=C1Cl
InChI
InChI=1S/C7H3ClF3N3/c8-5-1-2-14-6(12-5)3-4(13-14)7(9,10)11/h1-3H
InChIKey
IQPQWWAITOWUCW-UHFFFAOYSA-N
Compound name
5-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

220.99677 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.00405 137.5
[M+Na]+ 243.98599 151.4
[M-H]- 219.98949 135.1
[M+NH4]+ 239.03059 156.0
[M+K]+ 259.95993 146.0
[M+H-H2O]+ 203.99403 128.1
[M+HCOO]- 265.99497 151.2
[M+CH3COO]- 280.01062 184.7
[M+Na-2H]- 241.97144 145.1
[M]+ 220.99622 137.9
[M]- 220.99732 137.9
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