CID 24694840

1-(2,4-difluorophenyl)-3,5-dimethyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C12H10F2N2O
SMILES
CC1=C(C(=NN1C2=C(C=C(C=C2)F)F)C)C=O
InChI
InChI=1S/C12H10F2N2O/c1-7-10(6-17)8(2)16(15-7)12-4-3-9(13)5-11(12)14/h3-6H,1-2H3
InChIKey
INEVOTSMFVMARO-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07613 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.08341 154.5
[M+Na]+ 259.06535 167.3
[M+NH4]+ 254.10995 160.7
[M+K]+ 275.03929 162.3
[M-H]- 235.06885 154.2
[M+Na-2H]- 257.05080 160.0
[M]+ 236.07558 156.0
[M]- 236.07668 156.0
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.