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

8
Patents

204.07103 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07831 139.3
[M+Na]+ 227.06025 148.7
[M-H]- 203.06375 138.2
[M+NH4]+ 222.10485 157.8
[M+K]+ 243.03419 147.6
[M+H-H2O]+ 187.06829 130.8
[M+HCOO]- 249.06923 158.9
[M+CH3COO]- 263.08488 185.7
[M+Na-2H]- 225.04570 140.7
[M]+ 204.07048 139.9
[M]- 204.07158 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