CID 79363

5393-41-9

Structural Information

Molecular Formula
C12H7N3O3
SMILES
C1=CC=C2C(=C1)C3=C(N2N=O)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O3/c16-13-14-11-4-2-1-3-9(11)10-7-8(15(17)18)5-6-12(10)14/h1-7H
InChIKey
UTBGPZHMURQBBF-UHFFFAOYSA-N
Compound name
3-nitro-9-nitrosocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

241.04874 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05602 146.0
[M+Na]+ 264.03796 156.1
[M-H]- 240.04146 152.7
[M+NH4]+ 259.08256 165.6
[M+K]+ 280.01190 149.0
[M+H-H2O]+ 224.04600 143.1
[M+HCOO]- 286.04694 173.8
[M+CH3COO]- 300.06259 191.3
[M+Na-2H]- 262.02341 157.6
[M]+ 241.04819 148.8
[M]- 241.04929 148.8
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