CID 165819839

Azepane-3-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula
C6H12FNO2S
SMILES
C1CCNCC(C1)S(=O)(=O)F
InChI
InChI=1S/C6H12FNO2S/c7-11(9,10)6-3-1-2-4-8-5-6/h6,8H,1-5H2
InChIKey
ONWXMDPZKCLRKP-UHFFFAOYSA-N
Compound name
azepane-3-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05728 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06456 134.3
[M+Na]+ 204.04650 140.6
[M+NH4]+ 199.09110 140.3
[M+K]+ 220.02044 136.6
[M-H]- 180.05000 132.2
[M+Na-2H]- 202.03195 137.1
[M]+ 181.05673 134.7
[M]- 181.05783 134.7
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.