CID 65813879

3-(chloromethyl)-1-(2,4-difluorophenyl)-1h-pyrazole

Structural Information

Molecular Formula
C10H7ClF2N2
SMILES
C1=CC(=C(C=C1F)F)N2C=CC(=N2)CCl
InChI
InChI=1S/C10H7ClF2N2/c11-6-8-3-4-15(14-8)10-2-1-7(12)5-9(10)13/h1-5H,6H2
InChIKey
SCZXWYJYSFWQKP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1-(2,4-difluorophenyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02658 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.03386 142.4
[M+Na]+ 251.01580 154.3
[M-H]- 227.01930 144.3
[M+NH4]+ 246.06040 160.8
[M+K]+ 266.98974 148.5
[M+H-H2O]+ 211.02384 133.2
[M+HCOO]- 273.02478 159.4
[M+CH3COO]- 287.04043 155.6
[M+Na-2H]- 249.00125 146.1
[M]+ 228.02603 142.8
[M]- 228.02713 142.8
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.