CID 6435570

Brn 3148325

Structural Information

Molecular Formula
C10H9N3O5
SMILES
CC(=O)NC1=CC(=C(C=C1)/C=C/[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H9N3O5/c1-7(14)11-9-3-2-8(4-5-12(15)16)10(6-9)13(17)18/h2-6H,1H3,(H,11,14)/b5-4+
InChIKey
IQUZDIXHQUGSFQ-SNAWJCMRSA-N
Compound name
N-[3-nitro-4-[(E)-2-nitroethenyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.05421 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06149 152.9
[M+Na]+ 274.04343 158.1
[M-H]- 250.04693 156.5
[M+NH4]+ 269.08803 167.3
[M+K]+ 290.01737 148.1
[M+H-H2O]+ 234.05147 155.0
[M+HCOO]- 296.05241 178.9
[M+CH3COO]- 310.06806 184.1
[M+Na-2H]- 272.02888 160.2
[M]+ 251.05366 149.5
[M]- 251.05476 149.5
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.