CID 154815222

4-(2,2-difluoroethoxy)-1h-pyrazole

Structural Information

Molecular Formula
C5H6F2N2O
SMILES
C1=C(C=NN1)OCC(F)F
InChI
InChI=1S/C5H6F2N2O/c6-5(7)3-10-4-1-8-9-2-4/h1-2,5H,3H2,(H,8,9)
InChIKey
BJMJKWGCMGMNBB-UHFFFAOYSA-N
Compound name
4-(2,2-difluoroethoxy)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.04482 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05210 124.6
[M+Na]+ 171.03404 132.9
[M-H]- 147.03754 121.5
[M+NH4]+ 166.07864 144.0
[M+K]+ 187.00798 131.4
[M+H-H2O]+ 131.04208 116.1
[M+HCOO]- 193.04302 144.2
[M+CH3COO]- 207.05867 170.4
[M+Na-2H]- 169.01949 129.7
[M]+ 148.04427 121.4
[M]- 148.04537 121.4
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.