CID 510160

3,5-dinitro-n-(tetrahydrofuran-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C12H13N3O6
SMILES
C1CC(OC1)CNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H13N3O6/c16-12(13-7-11-2-1-3-21-11)8-4-9(14(17)18)6-10(5-8)15(19)20/h4-6,11H,1-3,7H2,(H,13,16)
InChIKey
QAEHFUQRAUYYJY-UHFFFAOYSA-N
Compound name
3,5-dinitro-N-(oxolan-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.08044 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.08772 166.0
[M+Na]+ 318.06966 168.2
[M-H]- 294.07316 172.5
[M+NH4]+ 313.11426 178.2
[M+K]+ 334.04360 159.5
[M+H-H2O]+ 278.07770 167.2
[M+HCOO]- 340.07864 189.4
[M+CH3COO]- 354.09429 190.9
[M+Na-2H]- 316.05511 172.6
[M]+ 295.07989 161.1
[M]- 295.08099 161.1
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.