CID 167716412

(2r)-1-(fluorosulfonyl)azetidine-2-carboxylic acid

Structural Information

Molecular Formula
C4H6FNO4S
SMILES
C1CN([C@H]1C(=O)O)S(=O)(=O)F
InChI
InChI=1S/C4H6FNO4S/c5-11(9,10)6-2-1-3(6)4(7)8/h3H,1-2H2,(H,7,8)/t3-/m1/s1
InChIKey
XNGFGOQUPAGUHU-GSVOUGTGSA-N
Compound name
(2R)-1-fluorosulfonylazetidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.00015 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.00743 129.0
[M+Na]+ 205.98937 135.0
[M-H]- 181.99287 128.6
[M+NH4]+ 201.03397 140.3
[M+K]+ 221.96331 137.0
[M+H-H2O]+ 165.99741 117.1
[M+HCOO]- 227.99835 141.2
[M+CH3COO]- 242.01400 177.1
[M+Na-2H]- 203.97482 131.1
[M]+ 182.99960 137.3
[M]- 183.00070 137.3
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.