CID 165904343

Rac-[(1r,2s)-2-cyanocyclopropyl]methanesulfonyl fluoride

Structural Information

Molecular Formula
C5H6FNO2S
SMILES
C1[C@H]([C@H]1C#N)CS(=O)(=O)F
InChI
InChI=1S/C5H6FNO2S/c6-10(8,9)3-5-1-4(5)2-7/h4-5H,1,3H2/t4-,5+/m1/s1
InChIKey
PFMYIGWVKSAWHK-UHNVWZDZSA-N
Compound name
[(1R,2S)-2-cyanocyclopropyl]methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.01033 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.01761 127.7
[M+Na]+ 185.99955 144.0
[M-H]- 162.00305 133.9
[M+NH4]+ 181.04415 144.5
[M+K]+ 201.97349 139.3
[M+H-H2O]+ 146.00759 118.1
[M+HCOO]- 208.00853 143.9
[M+CH3COO]- 222.02418 190.0
[M+Na-2H]- 183.98500 133.5
[M]+ 163.00978 128.6
[M]- 163.01088 128.6
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.