CID 3833937

Nsc652557

Structural Information

Molecular Formula
C12H7N3O5
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C3=CC(=C(C=C3N2)O)[N+](=O)[O-]
InChI
InChI=1S/C12H7N3O5/c16-11-5-8-6(4-10(11)15(19)20)12-7(13-8)2-1-3-9(12)14(17)18/h1-5,13,16H
InChIKey
XXNPDSVYGMLCHO-UHFFFAOYSA-N
Compound name
3,5-dinitro-9H-carbazol-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.03857 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.04585 153.4
[M+Na]+ 296.02779 160.9
[M-H]- 272.03129 156.2
[M+NH4]+ 291.07239 168.4
[M+K]+ 312.00173 148.6
[M+H-H2O]+ 256.03583 155.7
[M+HCOO]- 318.03677 175.5
[M+CH3COO]- 332.05242 183.2
[M+Na-2H]- 294.01324 164.5
[M]+ 273.03802 150.8
[M]- 273.03912 150.8
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

No patent data available for this compound.