CID 165725467

Azepane-4-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula
C6H12FNO2S
SMILES
C1CC(CCNC1)S(=O)(=O)F
InChI
InChI=1S/C6H12FNO2S/c7-11(9,10)6-2-1-4-8-5-3-6/h6,8H,1-5H2
InChIKey
JQYREOIUXQCBMF-UHFFFAOYSA-N
Compound name
azepane-4-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 131.1
[M+Na]+ 204.04650 134.6
[M-H]- 180.05000 131.1
[M+NH4]+ 199.09110 147.6
[M+K]+ 220.02044 137.0
[M+H-H2O]+ 164.05454 124.7
[M+HCOO]- 226.05548 141.9
[M+CH3COO]- 240.07113 175.0
[M+Na-2H]- 202.03195 133.7
[M]+ 181.05673 123.1
[M]- 181.05783 123.1
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.