CID 71668973

Ethyl 5-(difluoromethyl)-1-methyl-1h-pyrazole-3-carboxylate

Structural Information

Molecular Formula
C8H10F2N2O2
SMILES
CCOC(=O)C1=NN(C(=C1)C(F)F)C
InChI
InChI=1S/C8H10F2N2O2/c1-3-14-8(13)5-4-6(7(9)10)12(2)11-5/h4,7H,3H2,1-2H3
InChIKey
BMVYTGAFLXSYNX-UHFFFAOYSA-N
Compound name
ethyl 5-(difluoromethyl)-1-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

204.07103 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.078306 139.3
[M+Na]+ 227.060248 148.7
[M-H]- 203.063754 138.2
[M+NH4]+ 222.104853 157.8
[M+K]+ 243.034188 147.6
[M+H-H2O]+ 187.068290 130.8
[M+HCOO]- 249.069231 158.9
[M+CH3COO]- 263.084881 185.7
[M+Na-2H]- 225.045696 140.7
[M]+ 204.07048142 139.9
[M]- 204.07157858 139.9
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