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]+ 277.09831 158.9
[M+Na]+ 299.08025 166.7
[M-H]- 275.08375 164.8
[M+NH4]+ 294.12485 173.5
[M+K]+ 315.05419 164.1
[M+H-H2O]+ 259.08829 150.3
[M+HCOO]- 321.08923 177.1
[M+CH3COO]- 335.10488 170.5
[M+Na-2H]- 297.06570 158.3
[M]+ 276.09048 157.2
[M]- 276.09158 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.