CID 355994

1176-09-6

Structural Information

Molecular Formula
C28H18O2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2(C=O)C4(C5=CC=CC=C5C6=CC=CC=C64)C=O
InChI
InChI=1S/C28H18O2/c29-17-27(23-13-5-1-9-19(23)20-10-2-6-14-24(20)27)28(18-30)25-15-7-3-11-21(25)22-12-4-8-16-26(22)28/h1-18H
InChIKey
GLANOOJJBKXTMI-UHFFFAOYSA-N
Compound name
9-(9-formylfluoren-9-yl)fluorene-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

154
Patents

386.13068 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.13796 197.9
[M+Na]+ 409.11990 209.6
[M-H]- 385.12340 209.2
[M+NH4]+ 404.16450 220.2
[M+K]+ 425.09384 200.0
[M+H-H2O]+ 369.12794 188.0
[M+HCOO]- 431.12888 218.0
[M+CH3COO]- 445.14453 209.2
[M+Na-2H]- 407.10535 201.4
[M]+ 386.13013 201.1
[M]- 386.13123 201.1
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