CID 379142

Nsc663421

Structural Information

Molecular Formula
C16H24F2NO5P
SMILES
CCOP(=O)(C(CC1=CN=C(C2=C1COC(O2)(C)C)C)(F)F)OCC
InChI
InChI=1S/C16H24F2NO5P/c1-6-22-25(20,23-7-2)16(17,18)8-12-9-19-11(3)14-13(12)10-21-15(4,5)24-14/h9H,6-8,10H2,1-5H3
InChIKey
HQTGUIPXCRAPJO-UHFFFAOYSA-N
Compound name
5-(2-diethoxyphosphoryl-2,2-difluoroethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.13602 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.14330 191.4
[M+Na]+ 402.12524 198.9
[M-H]- 378.12874 191.8
[M+NH4]+ 397.16984 203.2
[M+K]+ 418.09918 199.7
[M+H-H2O]+ 362.13328 180.6
[M+HCOO]- 424.13422 208.1
[M+CH3COO]- 438.14987 219.4
[M+Na-2H]- 400.11069 195.5
[M]+ 379.13547 197.0
[M]- 379.13657 197.0
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.