CID 3427329

51522-30-6

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 145.6
[M+Na]+ 245.05328 150.4
[M-H]- 221.05678 149.6
[M+NH4]+ 240.09788 162.4
[M+K]+ 261.02722 140.6
[M+H-H2O]+ 205.06132 148.2
[M+HCOO]- 267.06226 168.1
[M+CH3COO]- 281.07791 179.0
[M+Na-2H]- 243.03873 154.7
[M]+ 222.06351 140.2
[M]- 222.06461 140.2
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