CID 22245378

1,2,3,4-tetranitro-9h-carbazole

Structural Information

Molecular Formula
C12H5N5O8
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=C(C(=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C12H5N5O8/c18-14(19)9-7-5-3-1-2-4-6(5)13-8(7)10(15(20)21)12(17(24)25)11(9)16(22)23/h1-4,13H
InChIKey
DAGSRNAIARXJOQ-UHFFFAOYSA-N
Compound name
1,2,3,4-tetranitro-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
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