CID 453867

Difmethanodt

Structural Information

Molecular Formula
C11H12F2N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C3C(C3(F)F)[C@H](O2)CO
InChI
InChI=1S/C11H12F2N2O4/c1-4-2-15(10(18)14-8(4)17)9-7-6(11(7,12)13)5(3-16)19-9/h2,5-7,9,16H,3H2,1H3,(H,14,17,18)/t5-,6?,7?,9-/m1/s1
InChIKey
RVBSOVYRUDPZAY-SZDPNDIZSA-N
Compound name
1-[(2R,4S)-6,6-difluoro-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0765 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08378 156.9
[M+Na]+ 297.06572 171.1
[M-H]- 273.06922 159.5
[M+NH4]+ 292.11032 168.7
[M+K]+ 313.03966 165.8
[M+H-H2O]+ 257.07376 149.9
[M+HCOO]- 319.07470 171.8
[M+CH3COO]- 333.09035 196.2
[M+Na-2H]- 295.05117 159.4
[M]+ 274.07595 159.9
[M]- 274.07705 159.9
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.