CID 138040532

2243506-90-1

Structural Information

Molecular Formula
C6H8FNO3S
SMILES
C1COC[C@H]([C@H]1C#N)S(=O)(=O)F
InChI
InChI=1S/C6H8FNO3S/c7-12(9,10)6-4-11-2-1-5(6)3-8/h5-6H,1-2,4H2/t5-,6-/m1/s1
InChIKey
SYULKROBRKMAAZ-PHDIDXHHSA-N
Compound name
(3S,4R)-4-cyanooxane-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.02089 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.02817 137.1
[M+Na]+ 216.01011 146.7
[M-H]- 192.01361 140.4
[M+NH4]+ 211.05471 154.0
[M+K]+ 231.98405 146.1
[M+H-H2O]+ 176.01815 125.0
[M+HCOO]- 238.01909 148.2
[M+CH3COO]- 252.03474 189.7
[M+Na-2H]- 213.99556 141.2
[M]+ 193.02034 131.3
[M]- 193.02144 131.3
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.