CID 43121472

1152541-77-9

Structural Information

Molecular Formula
C11H7F3N2O
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=C(C=NN2)C=O
InChI
InChI=1S/C11H7F3N2O/c12-11(13,14)9-3-1-2-7(4-9)10-8(6-17)5-15-16-10/h1-6H,(H,15,16)
InChIKey
FOFBLWVYOQSSMS-UHFFFAOYSA-N
Compound name
5-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.05104 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.05832 153.9
[M+Na]+ 263.04026 163.5
[M+NH4]+ 258.08486 158.6
[M+K]+ 279.01420 159.9
[M-H]- 239.04376 150.8
[M+Na-2H]- 261.02571 158.7
[M]+ 240.05049 154.0
[M]- 240.05159 154.0
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.