CID 476498

(s)-2-nitro-6-pentafluorophenylmethoxy-6,7-dihydro-5h-imidazo(2,1-b)(1,3)oxazine

Structural Information

Molecular Formula
C13H8F5N3O4
SMILES
C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=C(C(=C(C(=C3F)F)F)F)F
InChI
InChI=1S/C13H8F5N3O4/c14-8-6(9(15)11(17)12(18)10(8)16)4-24-5-1-20-2-7(21(22)23)19-13(20)25-3-5/h2,5H,1,3-4H2/t5-/m0/s1
InChIKey
XNHUGUJDSLLGIS-YFKPBYRVSA-N
Compound name
(6S)-2-nitro-6-[(2,3,4,5,6-pentafluorophenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

365.0435 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.05078 173.8
[M+Na]+ 388.03272 184.5
[M-H]- 364.03622 174.2
[M+NH4]+ 383.07732 184.6
[M+K]+ 404.00666 176.3
[M+H-H2O]+ 348.04076 165.8
[M+HCOO]- 410.04170 188.4
[M+CH3COO]- 424.05735 210.5
[M+Na-2H]- 386.01817 175.8
[M]+ 365.04295 169.6
[M]- 365.04405 169.6
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

patents stripe