CID 16726262

151733-96-9

Structural Information

Molecular Formula
C7H8F2N2O2
SMILES
CCOC(=O)C1=C(NN=C1)C(F)F
InChI
InChI=1S/C7H8F2N2O2/c1-2-13-7(12)4-3-10-11-5(4)6(8)9/h3,6H,2H2,1H3,(H,10,11)
InChIKey
XTHPZTBDQIWSFA-UHFFFAOYSA-N
Compound name
ethyl 5-(difluoromethyl)-1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

235
Patents

190.05539 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.062666 135.9
[M+Na]+ 213.044608 144.4
[M-H]- 189.048114 133.2
[M+NH4]+ 208.089213 153.9
[M+K]+ 229.018548 142.7
[M+H-H2O]+ 173.052650 127.4
[M+HCOO]- 235.053591 154.3
[M+CH3COO]- 249.069241 178.9
[M+Na-2H]- 211.030056 138.0
[M]+ 190.05484142 133.8
[M]- 190.05593858 133.8
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