CID 155820533

2460757-37-1

Structural Information

Molecular Formula
C6H5F3N2O3S
SMILES
C1C(=O)N/C(=N/C(=O)OCC(F)(F)F)/S1
InChI
InChI=1S/C6H5F3N2O3S/c7-6(8,9)2-14-5(13)11-4-10-3(12)1-15-4/h1-2H2,(H,10,11,12,13)
InChIKey
NZDSRBVNVCUCEC-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl (NZ)-N-(4-oxo-1,3-thiazolidin-2-ylidene)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.9973 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00458 145.1
[M+Na]+ 264.98652 152.8
[M-H]- 240.99002 143.4
[M+NH4]+ 260.03112 163.0
[M+K]+ 280.96046 150.6
[M+H-H2O]+ 224.99456 136.8
[M+HCOO]- 286.99550 158.4
[M+CH3COO]- 301.01115 185.7
[M+Na-2H]- 262.97197 145.4
[M]+ 241.99675 141.4
[M]- 241.99785 141.4
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.