CID 63896617

2228604-33-7

Structural Information

Molecular Formula
C6H10F3NO2S
SMILES
C1CS(=O)(=O)CCC1(C(F)(F)F)N
InChI
InChI=1S/C6H10F3NO2S/c7-6(8,9)5(10)1-3-13(11,12)4-2-5/h1-4,10H2
InChIKey
JFJPNOGDYZQTTF-UHFFFAOYSA-N
Compound name
1,1-dioxo-4-(trifluoromethyl)thian-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.03844 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04572 136.8
[M+Na]+ 240.02766 144.9
[M-H]- 216.03116 135.8
[M+NH4]+ 235.07226 158.9
[M+K]+ 256.00160 142.6
[M+H-H2O]+ 200.03570 131.0
[M+HCOO]- 262.03664 148.9
[M+CH3COO]- 276.05229 182.2
[M+Na-2H]- 238.01311 141.3
[M]+ 217.03789 130.4
[M]- 217.03899 130.4
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.