CID 54595586

3-(chloromethyl)-1-(4-fluorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H8ClFN2
SMILES
C1=CC(=CC=C1N2C=CC(=N2)CCl)F
InChI
InChI=1S/C10H8ClFN2/c11-7-9-5-6-14(13-9)10-3-1-8(12)2-4-10/h1-6H,7H2
InChIKey
AYSJFTYZJXSDOW-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-(4-fluorophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.03601 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.04329 140.4
[M+Na]+ 233.02523 151.4
[M-H]- 209.02873 143.4
[M+NH4]+ 228.06983 159.3
[M+K]+ 248.99917 146.1
[M+H-H2O]+ 193.03327 131.9
[M+HCOO]- 255.03421 158.4
[M+CH3COO]- 269.04986 153.8
[M+Na-2H]- 231.01068 145.4
[M]+ 210.03546 141.5
[M]- 210.03656 141.5
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.