CID 135400199

Brn 0995843

Structural Information

Molecular Formula
C12H9FN2O2
SMILES
C#CCN=C1NC(=O)C(O1)C2=CC=CC=C2F
InChI
InChI=1S/C12H9FN2O2/c1-2-7-14-12-15-11(16)10(17-12)8-5-3-4-6-9(8)13/h1,3-6,10H,7H2,(H,14,15,16)
InChIKey
DHCIPJMFDIIQSH-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)-2-prop-2-ynylimino-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0648 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.072076 147.8
[M+Na]+ 255.054018 158.2
[M-H]- 231.057524 150.0
[M+NH4]+ 250.098623 162.3
[M+K]+ 271.027958 153.2
[M+H-H2O]+ 215.062060 133.3
[M+HCOO]- 277.063001 163.5
[M+CH3COO]- 291.078651 197.5
[M+Na-2H]- 253.039466 149.9
[M]+ 232.06425142 139.8
[M]- 232.06534858 139.8
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.