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

20
Patents

222.06406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.071336 145.6
[M+Na]+ 245.053278 150.4
[M-H]- 221.056784 149.6
[M+NH4]+ 240.097883 162.4
[M+K]+ 261.027218 140.6
[M+H-H2O]+ 205.061320 148.2
[M+HCOO]- 267.062261 168.1
[M+CH3COO]- 281.077911 179.0
[M+Na-2H]- 243.038726 154.7
[M]+ 222.06351142 140.2
[M]- 222.06460858 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