CID 45792091

2,2,2-trifluoroethyl n-(1,3,4-thiadiazol-2-yl)carbamate

Structural Information

Molecular Formula
C5H4F3N3O2S
SMILES
C1=NN=C(S1)NC(=O)OCC(F)(F)F
InChI
InChI=1S/C5H4F3N3O2S/c6-5(7,8)1-13-4(12)10-3-11-9-2-14-3/h2H,1H2,(H,10,11,12)
InChIKey
CIWFWHVLSORFJS-UHFFFAOYSA-N
Compound name
2,2,2-trifluoroethyl N-(1,3,4-thiadiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99763 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00491 139.6
[M+Na]+ 249.98685 148.6
[M-H]- 225.99035 137.2
[M+NH4]+ 245.03145 157.0
[M+K]+ 265.96079 146.8
[M+H-H2O]+ 209.99489 130.3
[M+HCOO]- 271.99583 154.4
[M+CH3COO]- 286.01148 183.9
[M+Na-2H]- 247.97230 142.6
[M]+ 226.99708 138.7
[M]- 226.99818 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

No patent data available for this compound.