CID 5235128

9-(2-fluoro-5-iodophenyl)-3,4,6,7,9,10-hexahydro-1,8(2h,5h)-acridinedione

Structural Information

Molecular Formula
C19H17FINO2
SMILES
C1CC2=C(C(C3=C(N2)CCCC3=O)C4=C(C=CC(=C4)I)F)C(=O)C1
InChI
InChI=1S/C19H17FINO2/c20-12-8-7-10(21)9-11(12)17-18-13(3-1-5-15(18)23)22-14-4-2-6-16(24)19(14)17/h7-9,17,22H,1-6H2
InChIKey
PVJQEMBHKVRMEG-UHFFFAOYSA-N
Compound name
9-(2-fluoro-5-iodophenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.0288 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.03608 173.4
[M+Na]+ 460.01802 173.4
[M-H]- 436.02152 169.5
[M+NH4]+ 455.06262 182.4
[M+K]+ 475.99196 172.5
[M+H-H2O]+ 420.02606 160.2
[M+HCOO]- 482.02700 180.3
[M+CH3COO]- 496.04265 178.3
[M+Na-2H]- 458.00347 163.7
[M]+ 437.02825 163.6
[M]- 437.02935 163.6
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.