CID 38997102

1152908-20-7

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]+ 273.049236 157.0
[M+Na]+ 295.031178 170.1
[M-H]- 271.034684 165.3
[M+NH4]+ 290.075783 175.4
[M+K]+ 311.005118 164.5
[M+H-H2O]+ 255.039220 148.9
[M+HCOO]- 317.040161 178.0
[M+CH3COO]- 331.055811 171.0
[M+Na-2H]- 293.016626 157.0
[M]+ 272.04141142 161.4
[M]- 272.04250858 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.