CID 478789

3,5-dinitro-4-(1,3-oxazetidin-3-yl)benzenesulfonamide

Structural Information

Molecular Formula
C8H8N4O7S
SMILES
C1N(CO1)C2=C(C=C(C=C2[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N4O7S/c9-20(17,18)5-1-6(11(13)14)8(10-3-19-4-10)7(2-5)12(15)16/h1-2H,3-4H2,(H2,9,17,18)
InChIKey
INYUXSMXEDMUEE-UHFFFAOYSA-N
Compound name
3,5-dinitro-4-(1,3-oxazetidin-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.01138 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.01866 155.6
[M+Na]+ 327.00060 156.8
[M-H]- 303.00410 160.2
[M+NH4]+ 322.04520 158.1
[M+K]+ 342.97454 151.4
[M+H-H2O]+ 287.00864 148.4
[M+HCOO]- 349.00958 171.1
[M+CH3COO]- 363.02523 192.2
[M+Na-2H]- 324.98605 164.1
[M]+ 304.01083 159.7
[M]- 304.01193 159.7
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.