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 147.2
[M+Na]+ 259.06535 159.8
[M-H]- 235.06885 150.2
[M+NH4]+ 254.10995 165.1
[M+K]+ 275.03929 155.2
[M+H-H2O]+ 219.07339 138.1
[M+HCOO]- 281.07433 168.7
[M+CH3COO]- 295.08998 193.6
[M+Na-2H]- 257.05080 149.1
[M]+ 236.07558 148.0
[M]- 236.07668 148.0
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.