CID 170913256

3-(dimethylamino)azetidine-1-sulfonyl fluoride

Structural Information

Molecular Formula
C5H11FN2O2S
SMILES
CN(C)C1CN(C1)S(=O)(=O)F
InChI
InChI=1S/C5H11FN2O2S/c1-7(2)5-3-8(4-5)11(6,9)10/h5H,3-4H2,1-2H3
InChIKey
LTOBRDUYPVOOAZ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)azetidine-1-sulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.05252 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.059796 132.4
[M+Na]+ 205.041738 138.1
[M-H]- 181.045244 134.6
[M+NH4]+ 200.086343 145.0
[M+K]+ 221.015678 141.1
[M+H-H2O]+ 165.049780 119.5
[M+HCOO]- 227.050721 147.4
[M+CH3COO]- 241.066371 186.6
[M+Na-2H]- 203.027186 134.9
[M]+ 182.05197142 141.8
[M]- 182.05306858 141.8
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.