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 157.0
[M+Na]+ 295.03118 170.1
[M-H]- 271.03468 165.3
[M+NH4]+ 290.07578 175.4
[M+K]+ 311.00512 164.5
[M+H-H2O]+ 255.03922 148.9
[M+HCOO]- 317.04016 178.0
[M+CH3COO]- 331.05581 171.0
[M+Na-2H]- 293.01663 157.0
[M]+ 272.04141 161.4
[M]- 272.04251 161.4
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.