CID 94940

N-2-acetylamino-7-iodofluorene

Structural Information

Molecular Formula
C15H12INO
SMILES
CC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)I
InChI
InChI=1S/C15H12INO/c1-9(18)17-13-3-5-15-11(8-13)6-10-7-12(16)2-4-14(10)15/h2-5,7-8H,6H2,1H3,(H,17,18)
InChIKey
NXIYCGXUWMUYIG-UHFFFAOYSA-N
Compound name
N-(7-iodo-9H-fluoren-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

78
Patents

348.99637 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.003646 157.6
[M+Na]+ 371.985588 159.6
[M-H]- 347.989094 156.2
[M+NH4]+ 367.030193 174.0
[M+K]+ 387.959528 160.9
[M+H-H2O]+ 331.993630 148.0
[M+HCOO]- 393.994571 175.7
[M+CH3COO]- 408.010221 166.5
[M+Na-2H]- 369.971036 151.4
[M]+ 348.99582142 155.8
[M]- 348.99691858 155.8
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