CID 99612

2-nitro-9h-carbazole

Structural Information

Molecular Formula
C12H8N2O2
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H8N2O2/c15-14(16)8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13H
InChIKey
RSSFRJAJZYDBDI-UHFFFAOYSA-N
Compound name
2-nitro-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

60
Patents

212.05858 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.065856 140.5
[M+Na]+ 235.047798 149.9
[M-H]- 211.051304 144.3
[M+NH4]+ 230.092403 160.3
[M+K]+ 251.021738 141.1
[M+H-H2O]+ 195.055840 138.6
[M+HCOO]- 257.056781 164.2
[M+CH3COO]- 271.072431 178.9
[M+Na-2H]- 233.033246 151.2
[M]+ 212.05803142 139.5
[M]- 212.05912858 139.5
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