CID 4363599

1,5-dichloro-9,10-dinitro-anthracene

Structural Information

Molecular Formula
C14H6Cl2N2O4
SMILES
C1=CC2=C(C(=C1)Cl)C(=C3C=CC=C(C3=C2[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H6Cl2N2O4/c15-9-5-1-3-7-11(9)14(18(21)22)8-4-2-6-10(16)12(8)13(7)17(19)20/h1-6H
InChIKey
HXCVVAHSRRHYRK-UHFFFAOYSA-N
Compound name
1,5-dichloro-9,10-dinitroanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.97046 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.97774 171.8
[M+Na]+ 358.95968 180.4
[M-H]- 334.96318 176.1
[M+NH4]+ 354.00428 186.3
[M+K]+ 374.93362 167.4
[M+H-H2O]+ 318.96772 175.3
[M+HCOO]- 380.96866 186.6
[M+CH3COO]- 394.98431 199.2
[M+Na-2H]- 356.94513 180.6
[M]+ 335.96991 175.2
[M]- 335.97101 175.2
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