CID 125495426

Dtxsid80896140

Structural Information

Molecular Formula
C8H3F9N2OS
SMILES
C1=C(NC(=S)NC1=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F9N2OS/c9-5(10,2-1-3(20)19-4(21)18-2)6(11,12)7(13,14)8(15,16)17/h1H,(H2,18,19,20,21)
InChIKey
HTNMUFBXPAVNBZ-UHFFFAOYSA-N
Compound name
6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-sulfanylidene-1H-pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

345.98224 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.98952 161.4
[M+Na]+ 368.97146 172.0
[M-H]- 344.97496 149.3
[M+NH4]+ 364.01606 170.8
[M+K]+ 384.94540 164.7
[M+H-H2O]+ 328.97950 148.5
[M+HCOO]- 390.98044 160.2
[M+CH3COO]- 404.99609 202.1
[M+Na-2H]- 366.95691 162.9
[M]+ 345.98169 147.3
[M]- 345.98279 147.3
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.