CID 3000239

3'-f-4-thio-ddt

Structural Information

Molecular Formula
C10H13FN2O3S
SMILES
CC1=CN(C(=O)NC1=S)[C@H]2C[C@@H]([C@H](O2)CO)F
InChI
InChI=1S/C10H13FN2O3S/c1-5-3-13(10(15)12-9(5)17)8-2-6(11)7(4-14)16-8/h3,6-8,14H,2,4H2,1H3,(H,12,15,17)/t6-,7+,8+/m0/s1
InChIKey
RHBTTWULFWNOBZ-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-4-sulfanylidenepyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

31
Patents

260.06308 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.07036 153.7
[M+Na]+ 283.05230 164.4
[M-H]- 259.05580 155.7
[M+NH4]+ 278.09690 168.3
[M+K]+ 299.02624 160.0
[M+H-H2O]+ 243.06034 146.8
[M+HCOO]- 305.06128 165.8
[M+CH3COO]- 319.07693 188.2
[M+Na-2H]- 281.03775 151.9
[M]+ 260.06253 153.4
[M]- 260.06363 153.4
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.