CID 122165656

1855907-44-6

Structural Information

Molecular Formula
C6H8ClFN2
SMILES
CC1=NN(C(=C1CCl)F)C
InChI
InChI=1S/C6H8ClFN2/c1-4-5(3-7)6(8)10(2)9-4/h3H2,1-2H3
InChIKey
HWBXVBIZQBBCRP-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-5-fluoro-1,3-dimethylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.03601 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04329 128.0
[M+Na]+ 185.02523 140.1
[M-H]- 161.02873 128.3
[M+NH4]+ 180.06983 149.5
[M+K]+ 200.99917 136.7
[M+H-H2O]+ 145.03327 121.5
[M+HCOO]- 207.03421 145.8
[M+CH3COO]- 221.04986 177.8
[M+Na-2H]- 183.01068 132.2
[M]+ 162.03546 130.2
[M]- 162.03656 130.2
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.