CID 165944369

1,4-diazepane-1-sulfonyl fluoride hydrochloride

Structural Information

Molecular Formula
C5H11FN2O2S
SMILES
C1CNCCN(C1)S(=O)(=O)F
InChI
InChI=1S/C5H11FN2O2S/c6-11(9,10)8-4-1-2-7-3-5-8/h7H,1-5H2
InChIKey
QNQRSDSLNMSRSH-UHFFFAOYSA-N
Compound name
1,4-diazepane-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05252 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.059796 131.1
[M+Na]+ 205.041738 135.2
[M-H]- 181.045244 129.9
[M+NH4]+ 200.086343 146.3
[M+K]+ 221.015678 137.6
[M+H-H2O]+ 165.049780 123.3
[M+HCOO]- 227.050721 141.0
[M+CH3COO]- 241.066371 174.7
[M+Na-2H]- 203.027186 134.0
[M]+ 182.05197142 123.2
[M]- 182.05306858 123.2
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.