CID 283001

2,7-diacetylfluorene

Structural Information

Molecular Formula
C17H14O2
SMILES
CC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=O)C
InChI
InChI=1S/C17H14O2/c1-10(18)12-3-5-16-14(7-12)9-15-8-13(11(2)19)4-6-17(15)16/h3-8H,9H2,1-2H3
InChIKey
RIRYGERFWHUZBT-UHFFFAOYSA-N
Compound name
1-(7-acetyl-9H-fluoren-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

53
Patents

250.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.10666 156.4
[M+Na]+ 273.08860 165.6
[M-H]- 249.09210 162.4
[M+NH4]+ 268.13320 177.7
[M+K]+ 289.06254 161.3
[M+H-H2O]+ 233.09664 150.6
[M+HCOO]- 295.09758 177.4
[M+CH3COO]- 309.11323 198.0
[M+Na-2H]- 271.07405 159.4
[M]+ 250.09883 158.7
[M]- 250.09993 158.7
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