CID 378580

Nsc661220

Structural Information

Molecular Formula
C17H10ClNO2
SMILES
CN1C2=C(C=C(C=C2)Cl)C3=C1C4=C(C=C3)C(=O)C=CC4=O
InChI
InChI=1S/C17H10ClNO2/c1-19-13-5-2-9(18)8-12(13)10-3-4-11-14(20)6-7-15(21)16(11)17(10)19/h2-8H,1H3
InChIKey
PSOMQBRYIGZTAE-UHFFFAOYSA-N
Compound name
8-chloro-11-methylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.04 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.04728 164.7
[M+Na]+ 318.02922 179.3
[M-H]- 294.03272 171.1
[M+NH4]+ 313.07382 185.4
[M+K]+ 334.00316 171.7
[M+H-H2O]+ 278.03726 158.3
[M+HCOO]- 340.03820 181.3
[M+CH3COO]- 354.05385 178.3
[M+Na-2H]- 316.01467 169.9
[M]+ 295.03945 170.8
[M]- 295.04055 170.8
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.