CID 497726

3-bromo-9-ethyl-carbazole-1,4-dione

Structural Information

Molecular Formula
C14H10BrNO2
SMILES
CCN1C2=CC=CC=C2C3=C1C(=O)C=C(C3=O)Br
InChI
InChI=1S/C14H10BrNO2/c1-2-16-10-6-4-3-5-8(10)12-13(16)11(17)7-9(15)14(12)18/h3-7H,2H2,1H3
InChIKey
QYGPGZGWVSRIBH-UHFFFAOYSA-N
Compound name
3-bromo-9-ethylcarbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.9895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99678 159.6
[M+Na]+ 325.97872 175.0
[M-H]- 301.98222 167.6
[M+NH4]+ 321.02332 181.7
[M+K]+ 341.95266 162.7
[M+H-H2O]+ 285.98676 159.7
[M+HCOO]- 347.98770 179.9
[M+CH3COO]- 362.00335 175.1
[M+Na-2H]- 323.96417 165.8
[M]+ 302.98895 181.7
[M]- 302.99005 181.7
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.