CID 592556

3,8-dinitro-1,2-dihydroacenaphthylene

Structural Information

Molecular Formula
C12H8N2O4
SMILES
C1CC2=C(C=CC3=C2C1=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O4/c15-13(16)10-5-1-7-2-6-11(14(17)18)9-4-3-8(10)12(7)9/h1-2,5-6H,3-4H2
InChIKey
YGJBWUMCFHVIDR-UHFFFAOYSA-N
Compound name
3,8-dinitro-1,2-dihydroacenaphthylene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0484 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.05568 151.4
[M+Na]+ 267.03762 157.6
[M-H]- 243.04112 156.3
[M+NH4]+ 262.08222 170.3
[M+K]+ 283.01156 146.9
[M+H-H2O]+ 227.04566 154.3
[M+HCOO]- 289.04660 174.9
[M+CH3COO]- 303.06225 184.6
[M+Na-2H]- 265.02307 161.3
[M]+ 244.04785 149.4
[M]- 244.04895 149.4
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.