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 134.5
[M+Na]+ 215.04026 145.4
[M-H]- 191.04376 132.3
[M+NH4]+ 210.08486 153.7
[M+K]+ 231.01420 143.2
[M+H-H2O]+ 175.04830 125.9
[M+HCOO]- 237.04924 153.5
[M+CH3COO]- 251.06489 182.1
[M+Na-2H]- 213.02571 139.0
[M]+ 192.05049 132.8
[M]- 192.05159 132.8
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.