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]+ 149.052096 124.6
[M+Na]+ 171.034038 132.9
[M-H]- 147.037544 121.5
[M+NH4]+ 166.078643 144.0
[M+K]+ 187.007978 131.4
[M+H-H2O]+ 131.042080 116.1
[M+HCOO]- 193.043021 144.2
[M+CH3COO]- 207.058671 170.4
[M+Na-2H]- 169.019486 129.7
[M]+ 148.04427142 121.4
[M]- 148.04536858 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.