CID 1550323

2-(2,3,3-trichloro-1-nitro-allylidene)-oxazolidine

Structural Information

Molecular Formula
C6H5Cl3N2O3
SMILES
C1CO/C(=C(/C(=C(Cl)Cl)Cl)\[N+](=O)[O-])/N1
InChI
InChI=1S/C6H5Cl3N2O3/c7-3(5(8)9)4(11(12)13)6-10-1-2-14-6/h10H,1-2H2/b6-4-
InChIKey
SDLVBNSECJGOHA-XQRVVYSFSA-N
Compound name
(2Z)-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-oxazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.93658 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.94386 153.5
[M+Na]+ 280.92580 158.1
[M-H]- 256.92930 152.1
[M+NH4]+ 275.97040 168.0
[M+K]+ 296.89974 150.6
[M+H-H2O]+ 240.93384 154.3
[M+HCOO]- 302.93478 156.6
[M+CH3COO]- 316.95043 179.9
[M+Na-2H]- 278.91125 154.1
[M]+ 257.93603 148.9
[M]- 257.93713 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.