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]+ 164.017606 127.7
[M+Na]+ 185.999548 144.0
[M-H]- 162.003054 133.9
[M+NH4]+ 181.044153 144.5
[M+K]+ 201.973488 139.3
[M+H-H2O]+ 146.007590 118.1
[M+HCOO]- 208.008531 143.9
[M+CH3COO]- 222.024181 190.0
[M+Na-2H]- 183.984996 133.5
[M]+ 163.00978142 128.6
[M]- 163.01087858 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.