CID 72755

1,3,6,8-tetranitrocarbazole

Structural Information

Molecular Formula
C12H5N5O8
SMILES
C1=C(C=C(C2=C1C3=C(N2)C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H5N5O8/c18-14(19)5-1-7-8-2-6(15(20)21)4-10(17(24)25)12(8)13-11(7)9(3-5)16(22)23/h1-4,13H
InChIKey
JUSWGNJYSBSOFM-UHFFFAOYSA-N
Compound name
1,3,6,8-tetranitro-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

887
Patents

347.01382 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.02110 163.7
[M+Na]+ 370.00304 169.1
[M+NH4]+ 365.04764 172.5
[M+K]+ 385.97698 179.0
[M-H]- 346.00654 162.1
[M+Na-2H]- 367.98849 163.6
[M]+ 347.01327 166.3
[M]- 347.01437 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe