CID 39243789

Albb-034694

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]+ 219.09282 144.8
[M+Na]+ 241.07476 156.4
[M-H]- 217.07826 148.8
[M+NH4]+ 236.11936 163.2
[M+K]+ 257.04870 152.3
[M+H-H2O]+ 201.08280 136.4
[M+HCOO]- 263.08374 167.4
[M+CH3COO]- 277.09939 189.7
[M+Na-2H]- 239.06021 148.0
[M]+ 218.08499 146.3
[M]- 218.08609 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.