CID 62730562

4-(chloromethyl)-1-(2,2-difluoroethyl)-1h-pyrazole hydrochloride

Structural Information

Molecular Formula
C6H7ClF2N2
SMILES
C1=C(C=NN1CC(F)F)CCl
InChI
InChI=1S/C6H7ClF2N2/c7-1-5-2-10-11(3-5)4-6(8)9/h2-3,6H,1,4H2
InChIKey
QRFILMMQISQQRW-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-1-(2,2-difluoroethyl)pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

180.02658 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.03386 130.6
[M+Na]+ 203.01580 140.6
[M-H]- 179.01930 128.8
[M+NH4]+ 198.06040 150.6
[M+K]+ 218.98974 137.2
[M+H-H2O]+ 163.02384 122.4
[M+HCOO]- 225.02478 146.4
[M+CH3COO]- 239.04043 179.1
[M+Na-2H]- 201.00125 134.4
[M]+ 180.02603 130.3
[M]- 180.02713 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

patents stripe