CID 667784

354989-32-5

Structural Information

Molecular Formula
C9H10BrF3N2O2
SMILES
CCOC(=O)CN1C(=C(C(=N1)C(F)(F)F)Br)C
InChI
InChI=1S/C9H10BrF3N2O2/c1-3-17-6(16)4-15-5(2)7(10)8(14-15)9(11,12)13/h3-4H2,1-2H3
InChIKey
RQQFMFUIFOHFDO-UHFFFAOYSA-N
Compound name
ethyl 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.98776 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.99504 174.1
[M+Na]+ 336.97698 173.3
[M+NH4]+ 332.02158 174.5
[M+K]+ 352.95092 175.6
[M-H]- 312.98048 167.8
[M+Na-2H]- 334.96243 171.6
[M]+ 313.98721 170.7
[M]- 313.98831 170.7
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.