CID 97182145

1443279-59-1

Structural Information

Molecular Formula
C7H7F3N2O
SMILES
CCN1C(=CC(=N1)C(F)(F)F)C=O
InChI
InChI=1S/C7H7F3N2O/c1-2-12-5(4-13)3-6(11-12)7(8,9)10/h3-4H,2H2,1H3
InChIKey
ZSWKBVVPDPLSRV-UHFFFAOYSA-N
Compound name
2-ethyl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.05104 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.05832 143.9
[M+Na]+ 215.04026 152.1
[M+NH4]+ 210.08486 148.3
[M+K]+ 231.01420 149.3
[M-H]- 191.04376 138.7
[M+Na-2H]- 213.02571 146.2
[M]+ 192.05049 143.1
[M]- 192.05159 143.1
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.