CID 94987

2871-87-6

Structural Information

Molecular Formula
C21H16O
SMILES
COC1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C21H16O/c1-22-16-12-10-15(11-13-16)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-14H,1H3
InChIKey
NKNOIHZBUJIRRY-UHFFFAOYSA-N
Compound name
9-[(4-methoxyphenyl)methylidene]fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

180
Patents

284.12012 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.127396 167.0
[M+Na]+ 307.109338 176.4
[M-H]- 283.112844 175.9
[M+NH4]+ 302.153943 186.7
[M+K]+ 323.083278 169.5
[M+H-H2O]+ 267.117380 159.3
[M+HCOO]- 329.118321 189.7
[M+CH3COO]- 343.133971 179.7
[M+Na-2H]- 305.094786 172.1
[M]+ 284.11957142 168.4
[M]- 284.12066858 168.4
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