CID 65245117

1-trifluoromethanesulfonylazetidin-3-amine hydrochloride

Structural Information

Molecular Formula
C4H7F3N2O2S
SMILES
C1C(CN1S(=O)(=O)C(F)(F)F)N
InChI
InChI=1S/C4H7F3N2O2S/c5-4(6,7)12(10,11)9-1-3(8)2-9/h3H,1-2,8H2
InChIKey
XRMAMAPOXZCXRG-UHFFFAOYSA-N
Compound name
1-(trifluoromethylsulfonyl)azetidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.01804 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.02532 135.5
[M+Na]+ 227.00726 141.8
[M-H]- 203.01076 133.3
[M+NH4]+ 222.05186 146.2
[M+K]+ 242.98120 142.8
[M+H-H2O]+ 187.01530 121.5
[M+HCOO]- 249.01624 146.1
[M+CH3COO]- 263.03189 184.8
[M+Na-2H]- 224.99271 137.7
[M]+ 204.01749 139.2
[M]- 204.01859 139.2
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