CID 381772

Nsc668844

Structural Information

Molecular Formula
C17H10FNO2
SMILES
CN1C2=C(C=C(C=C2)F)C3=C1C4=C(C=C3)C(=O)C=CC4=O
InChI
InChI=1S/C17H10FNO2/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
WZEIPRXRCWJHHE-UHFFFAOYSA-N
Compound name
8-fluoro-11-methylbenzo[a]carbazole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.06955 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07683 160.1
[M+Na]+ 302.05877 173.9
[M-H]- 278.06227 165.5
[M+NH4]+ 297.10337 180.6
[M+K]+ 318.03271 167.3
[M+H-H2O]+ 262.06681 152.3
[M+HCOO]- 324.06775 180.3
[M+CH3COO]- 338.08340 173.6
[M+Na-2H]- 300.04422 165.3
[M]+ 279.06900 163.0
[M]- 279.07010 163.0
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.