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]+ 195.072826 136.7
[M+Na]+ 217.054768 146.6
[M-H]- 193.058274 137.4
[M+NH4]+ 212.099373 154.7
[M+K]+ 233.028708 141.8
[M+H-H2O]+ 177.062810 127.4
[M+HCOO]- 239.063751 157.0
[M+CH3COO]- 253.079401 149.4
[M+Na-2H]- 215.040216 141.3
[M]+ 194.06500142 133.0
[M]- 194.06609858 133.0
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.