CID 165468619

3-(2,2-difluoroethanesulfonyl)azetidine hydrochloride

Structural Information

Molecular Formula
C5H9F2NO2S
SMILES
C1C(CN1)S(=O)(=O)CC(F)F
InChI
InChI=1S/C5H9F2NO2S/c6-5(7)3-11(9,10)4-1-8-2-4/h4-5,8H,1-3H2
InChIKey
FVNQIPDFHBQFBF-UHFFFAOYSA-N
Compound name
3-(2,2-difluoroethylsulfonyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.03221 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.03949 131.9
[M+Na]+ 208.02143 137.0
[M-H]- 184.02493 129.7
[M+NH4]+ 203.06603 143.1
[M+K]+ 223.99537 137.9
[M+H-H2O]+ 168.02947 119.0
[M+HCOO]- 230.03041 142.2
[M+CH3COO]- 244.04606 178.4
[M+Na-2H]- 206.00688 133.3
[M]+ 185.03166 137.0
[M]- 185.03276 137.0
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.