CID 39243789

1-(3-fluorophenyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H11FN2O
SMILES
CC1=C(C(=NN1C2=CC(=CC=C2)F)C)C=O
InChI
InChI=1S/C12H11FN2O/c1-8-12(7-16)9(2)15(14-8)11-5-3-4-10(13)6-11/h3-7H,1-2H3
InChIKey
YTXDWSBTEUPRHG-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.08554 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.092816 144.8
[M+Na]+ 241.074758 156.4
[M-H]- 217.078264 148.8
[M+NH4]+ 236.119363 163.2
[M+K]+ 257.048698 152.3
[M+H-H2O]+ 201.082800 136.4
[M+HCOO]- 263.083741 167.4
[M+CH3COO]- 277.099391 189.7
[M+Na-2H]- 239.060206 148.0
[M]+ 218.08499142 146.3
[M]- 218.08608858 146.3
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.