CID 25581325

2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

Structural Information

Molecular Formula
C9H6F3N3O
SMILES
CC1=NN2C(=CC=NC2=C1C=O)C(F)(F)F
InChI
InChI=1S/C9H6F3N3O/c1-5-6(4-16)8-13-3-2-7(9(10,11)12)15(8)14-5/h2-4H,1H3
InChIKey
ZYBYHCUUUQINQO-UHFFFAOYSA-N
Compound name
2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0463 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.05358 144.1
[M+Na]+ 252.03552 157.7
[M-H]- 228.03902 142.3
[M+NH4]+ 247.08012 161.8
[M+K]+ 268.00946 153.4
[M+H-H2O]+ 212.04356 134.6
[M+HCOO]- 274.04450 162.4
[M+CH3COO]- 288.06015 189.2
[M+Na-2H]- 250.02097 150.5
[M]+ 229.04575 144.5
[M]- 229.04685 144.5
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

No patent data available for this compound.