CID 81197783

3-(trifluoromethanesulfonylmethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C5H8F3NO2S
SMILES
C1C(CN1)CS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C5H8F3NO2S/c6-5(7,8)12(10,11)3-4-1-9-2-4/h4,9H,1-3H2
InChIKey
DSHAZRYTRQAJCZ-UHFFFAOYSA-N
Compound name
3-(trifluoromethylsulfonylmethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

203.02278 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.030056 134.9
[M+Na]+ 226.011998 140.8
[M-H]- 202.015504 131.6
[M+NH4]+ 221.056603 145.5
[M+K]+ 241.985938 141.1
[M+H-H2O]+ 186.020040 121.6
[M+HCOO]- 248.020981 143.8
[M+CH3COO]- 262.036631 180.1
[M+Na-2H]- 223.997446 137.6
[M]+ 203.02223142 138.7
[M]- 203.02332858 138.7
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

patents stripe