CID 65195757

1490028-96-0

Structural Information

Molecular Formula
C12H10F2N2O
SMILES
CN1C=CC(=N1)C(=O)CC2=C(C=C(C=C2)F)F
InChI
InChI=1S/C12H10F2N2O/c1-16-5-4-11(15-16)12(17)6-8-2-3-9(13)7-10(8)14/h2-5,7H,6H2,1H3
InChIKey
ZOYLVENYCQBIQA-UHFFFAOYSA-N
Compound name
2-(2,4-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.07613 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.083406 147.9
[M+Na]+ 259.065348 158.2
[M-H]- 235.068854 150.1
[M+NH4]+ 254.109953 165.0
[M+K]+ 275.039288 154.1
[M+H-H2O]+ 219.073390 138.2
[M+HCOO]- 281.074331 168.4
[M+CH3COO]- 295.089981 192.1
[M+Na-2H]- 257.050796 149.9
[M]+ 236.07558142 147.2
[M]- 236.07667858 147.2
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.