CID 248617

2-iodo-9-fluorenone

Structural Information

Molecular Formula
C13H7IO
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)I
InChI
InChI=1S/C13H7IO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
InChIKey
VRRWYZJLVCUFPU-UHFFFAOYSA-N
Compound name
2-iodofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

305.95416 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.96144 141.0
[M+Na]+ 328.94338 145.1
[M-H]- 304.94688 140.0
[M+NH4]+ 323.98798 159.5
[M+K]+ 344.91732 146.3
[M+H-H2O]+ 288.95142 132.1
[M+HCOO]- 350.95236 159.9
[M+CH3COO]- 364.96801 151.6
[M+Na-2H]- 326.92883 136.9
[M]+ 305.95361 139.9
[M]- 305.95471 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe