CID 5486597

Rch 173

Structural Information

Molecular Formula
C12H8N4O6
SMILES
C1=CC(=O)C(=CC=C1N=O)NNC(=O)C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C12H8N4O6/c17-9-4-2-7(15-19)1-3-8(9)13-14-12(18)10-5-6-11(22-10)16(20)21/h1-6H,(H,13,17)(H,14,18)
InChIKey
NYNUITUCEPOEAT-UHFFFAOYSA-N
Compound name
5-nitro-N'-(4-nitroso-7-oxocyclohepta-1,3,5-trien-1-yl)furan-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.04437 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.05165 172.2
[M+Na]+ 327.03359 180.5
[M+NH4]+ 322.07819 176.1
[M+K]+ 343.00753 182.1
[M-H]- 303.03709 176.7
[M+Na-2H]- 325.01904 176.8
[M]+ 304.04382 174.1
[M]- 304.04492 174.1
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.