CID 21732715

2-(trifluoromethyl)-1,3-oxathiolan-2-amine

Structural Information

Molecular Formula
C4H6F3NOS
SMILES
C1CSC(O1)(C(F)(F)F)N
InChI
InChI=1S/C4H6F3NOS/c5-3(6,7)4(8)9-1-2-10-4/h1-2,8H2
InChIKey
DRDOCGQMWZETRU-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-1,3-oxathiolan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.01222 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.01950 136.5
[M+Na]+ 196.00144 141.9
[M+NH4]+ 191.04604 143.9
[M+K]+ 211.97538 136.8
[M-H]- 172.00494 134.1
[M+Na-2H]- 193.98689 139.0
[M]+ 173.01167 136.7
[M]- 173.01277 136.7
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

No patent data available for this compound.