CID 136576223

4-[(2,4-difluorophenyl)methyl]-1h-pyrazole

Structural Information

Molecular Formula
C10H8F2N2
SMILES
C1=CC(=C(C=C1F)F)CC2=CNN=C2
InChI
InChI=1S/C10H8F2N2/c11-9-2-1-8(10(12)4-9)3-7-5-13-14-6-7/h1-2,4-6H,3H2,(H,13,14)
InChIKey
JNIODAXEDLXNCI-UHFFFAOYSA-N
Compound name
4-[(2,4-difluorophenyl)methyl]-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.06555 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.07283 141.5
[M+Na]+ 217.05477 153.5
[M+NH4]+ 212.09937 148.5
[M+K]+ 233.02871 148.4
[M-H]- 193.05827 141.3
[M+Na-2H]- 215.04022 148.4
[M]+ 194.06500 142.9
[M]- 194.06610 142.9
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.