CID 125528789

1807939-28-1

Structural Information

Molecular Formula
C14H13FN2O3
SMILES
C1CO[C@H]([C@@H]1C(=O)O)C2=CC=NN2C3=CC=C(C=C3)F
InChI
InChI=1S/C14H13FN2O3/c15-9-1-3-10(4-2-9)17-12(5-7-16-17)13-11(14(18)19)6-8-20-13/h1-5,7,11,13H,6,8H2,(H,18,19)/t11-,13-/m1/s1
InChIKey
PTBSLZXOEYOSSN-DGCLKSJQSA-N
Compound name
(2R,3R)-2-[2-(4-fluorophenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.09103 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.098306 158.9
[M+Na]+ 299.080248 166.7
[M-H]- 275.083754 164.8
[M+NH4]+ 294.124853 173.5
[M+K]+ 315.054188 164.1
[M+H-H2O]+ 259.088290 150.3
[M+HCOO]- 321.089231 177.1
[M+CH3COO]- 335.104881 170.5
[M+Na-2H]- 297.065696 158.3
[M]+ 276.09048142 157.2
[M]- 276.09157858 157.2
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.