CID 468937

127692-18-6

Structural Information

Molecular Formula
C6H4Cl3N3O3
SMILES
C1C(OC2=NC(=CN21)[N+](=O)[O-])C(Cl)(Cl)Cl
InChI
InChI=1S/C6H4Cl3N3O3/c7-6(8,9)3-1-11-2-4(12(13)14)10-5(11)15-3/h2-3H,1H2
InChIKey
LTYSCKJWPQRRIR-UHFFFAOYSA-N
Compound name
6-nitro-2-(trichloromethyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.93182 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.93910 158.9
[M+Na]+ 293.92104 167.6
[M-H]- 269.92454 159.6
[M+NH4]+ 288.96564 175.6
[M+K]+ 309.89498 161.3
[M+H-H2O]+ 253.92908 158.5
[M+HCOO]- 315.93002 164.3
[M+CH3COO]- 329.94567 185.5
[M+Na-2H]- 291.90649 164.3
[M]+ 270.93127 160.2
[M]- 270.93237 160.2
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.