CID 38997102

1-(4-fluorophenyl)-3-(thiophen-2-yl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C14H9FN2OS
SMILES
C1=CSC(=C1)C2=NN(C=C2C=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H9FN2OS/c15-11-3-5-12(6-4-11)17-8-10(9-18)14(16-17)13-2-1-7-19-13/h1-9H
InChIKey
XPXQOGXFHLZYGP-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-thiophen-2-ylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.04196 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.04924 159.8
[M+Na]+ 295.03118 174.2
[M+NH4]+ 290.07578 168.0
[M+K]+ 311.00512 167.9
[M-H]- 271.03468 163.4
[M+Na-2H]- 293.01663 168.6
[M]+ 272.04141 163.4
[M]- 272.04251 163.4
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.