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]+ 183.05980 132.4
[M+Na]+ 205.04174 138.1
[M-H]- 181.04524 134.6
[M+NH4]+ 200.08634 145.0
[M+K]+ 221.01568 141.1
[M+H-H2O]+ 165.04978 119.5
[M+HCOO]- 227.05072 147.4
[M+CH3COO]- 241.06637 186.6
[M+Na-2H]- 203.02719 134.9
[M]+ 182.05197 141.8
[M]- 182.05307 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.