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

11
Patents

203.02278 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03006 134.9
[M+Na]+ 226.01200 140.8
[M-H]- 202.01550 131.6
[M+NH4]+ 221.05660 145.5
[M+K]+ 241.98594 141.1
[M+H-H2O]+ 186.02004 121.6
[M+HCOO]- 248.02098 143.8
[M+CH3COO]- 262.03663 180.1
[M+Na-2H]- 223.99745 137.6
[M]+ 203.02223 138.7
[M]- 203.02333 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