CID 75484854

5-fluoro-2-(1,2-oxazolidine-2-sulfonyl)benzonitrile

Structural Information

Molecular Formula
C10H9FN2O3S
SMILES
C1CN(OC1)S(=O)(=O)C2=C(C=C(C=C2)F)C#N
InChI
InChI=1S/C10H9FN2O3S/c11-9-2-3-10(8(6-9)7-12)17(14,15)13-4-1-5-16-13/h2-3,6H,1,4-5H2
InChIKey
ZGKIAULFWKRXCX-UHFFFAOYSA-N
Compound name
5-fluoro-2-(1,2-oxazolidin-2-ylsulfonyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0318 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03908 156.1
[M+Na]+ 279.02102 167.4
[M-H]- 255.02452 160.5
[M+NH4]+ 274.06562 171.0
[M+K]+ 294.99496 164.6
[M+H-H2O]+ 239.02906 142.3
[M+HCOO]- 301.03000 168.0
[M+CH3COO]- 315.04565 199.6
[M+Na-2H]- 277.00647 158.0
[M]+ 256.03125 151.9
[M]- 256.03235 151.9
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.