CID 39622

50332-20-2

Structural Information

Molecular Formula
C20H16FNO3
SMILES
C1CCC2=C(C1)C3=CC4=C(C=C3N2C(=O)C5=CC(=CC=C5)F)OCO4
InChI
InChI=1S/C20H16FNO3/c21-13-5-3-4-12(8-13)20(23)22-16-7-2-1-6-14(16)15-9-18-19(10-17(15)22)25-11-24-18/h3-5,8-10H,1-2,6-7,11H2
InChIKey
DQIZFMLGQGHIIC-UHFFFAOYSA-N
Compound name
(3-fluorophenyl)-(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-b]carbazol-9-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.11142 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11870 175.2
[M+Na]+ 360.10064 184.8
[M-H]- 336.10414 183.9
[M+NH4]+ 355.14524 191.3
[M+K]+ 376.07458 181.3
[M+H-H2O]+ 320.10868 167.6
[M+HCOO]- 382.10962 190.9
[M+CH3COO]- 396.12527 186.8
[M+Na-2H]- 358.08609 176.9
[M]+ 337.11087 176.5
[M]- 337.11197 176.5
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.