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

2
Patents

256.0318 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.039076 156.1
[M+Na]+ 279.021018 167.4
[M-H]- 255.024524 160.5
[M+NH4]+ 274.065623 171.0
[M+K]+ 294.994958 164.6
[M+H-H2O]+ 239.029060 142.3
[M+HCOO]- 301.030001 168.0
[M+CH3COO]- 315.045651 199.6
[M+Na-2H]- 277.006466 158.0
[M]+ 256.03125142 151.9
[M]- 256.03234858 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

patents stripe