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]+ 233.07208 147.8
[M+Na]+ 255.05402 158.2
[M-H]- 231.05752 150.0
[M+NH4]+ 250.09862 162.3
[M+K]+ 271.02796 153.2
[M+H-H2O]+ 215.06206 133.3
[M+HCOO]- 277.06300 163.5
[M+CH3COO]- 291.07865 197.5
[M+Na-2H]- 253.03947 149.9
[M]+ 232.06425 139.8
[M]- 232.06535 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.