CID 60136442

5-(chloromethyl)-1-(2,2-difluoroethyl)-1h-pyrazole

Structural Information

Molecular Formula
C6H7ClF2N2
SMILES
C1=C(N(N=C1)CC(F)F)CCl
InChI
InChI=1S/C6H7ClF2N2/c7-3-5-1-2-10-11(5)4-6(8)9/h1-2,6H,3-4H2
InChIKey
RQMXAXXPQYJYDK-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1-(2,2-difluoroethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.02658 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.033856 130.6
[M+Na]+ 203.015798 140.6
[M-H]- 179.019304 128.8
[M+NH4]+ 198.060403 150.6
[M+K]+ 218.989738 137.2
[M+H-H2O]+ 163.023840 122.4
[M+HCOO]- 225.024781 146.4
[M+CH3COO]- 239.040431 179.1
[M+Na-2H]- 201.001246 134.4
[M]+ 180.02603142 130.3
[M]- 180.02712858 130.3
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.