CID 3427329

5,7-dinitro-1,2,3,4-tetrahydronaphthalene

Structural Information

Molecular Formula
C10H10N2O4
SMILES
C1CCC2=C(C1)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H10N2O4/c13-11(14)8-5-7-3-1-2-4-9(7)10(6-8)12(15)16/h5-6H,1-4H2
InChIKey
XYARKBJAQYVUJO-UHFFFAOYSA-N
Compound name
5,7-dinitro-1,2,3,4-tetrahydronaphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

222.06406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.07134 147.0
[M+Na]+ 245.05328 160.4
[M+NH4]+ 240.09788 155.6
[M+K]+ 261.02722 159.1
[M-H]- 221.05678 152.0
[M+Na-2H]- 243.03873 152.0
[M]+ 222.06351 150.1
[M]- 222.06461 150.1
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

patents stripe