CID 788045

333309-25-4

Structural Information

Molecular Formula
C10H11F3N2O2
SMILES
COC(=O)CN1C2=C(CCC2)C(=N1)C(F)(F)F
InChI
InChI=1S/C10H11F3N2O2/c1-17-8(16)5-15-7-4-2-3-6(7)9(14-15)10(11,12)13/h2-5H2,1H3
InChIKey
VTEZFSZBHQUQON-UHFFFAOYSA-N
Compound name
methyl 2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.07726 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.08454 151.3
[M+Na]+ 271.06648 160.8
[M-H]- 247.06998 149.9
[M+NH4]+ 266.11108 170.8
[M+K]+ 287.04042 158.6
[M+H-H2O]+ 231.07452 142.9
[M+HCOO]- 293.07546 167.8
[M+CH3COO]- 307.09111 191.3
[M+Na-2H]- 269.05193 152.7
[M]+ 248.07671 149.8
[M]- 248.07781 149.8
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

No patent data available for this compound.