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]+ 230.053576 144.1
[M+Na]+ 252.035518 157.7
[M-H]- 228.039024 142.3
[M+NH4]+ 247.080123 161.8
[M+K]+ 268.009458 153.4
[M+H-H2O]+ 212.043560 134.6
[M+HCOO]- 274.044501 162.4
[M+CH3COO]- 288.060151 189.2
[M+Na-2H]- 250.020966 150.5
[M]+ 229.04575142 144.5
[M]- 229.04684858 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.