CID 302261

9h-fluorene, 9-[(4-methylphenyl)methylene]-

Structural Information

Molecular Formula
C21H16
SMILES
CC1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C21H16/c1-15-10-12-16(13-11-15)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21/h2-14H,1H3
InChIKey
AYDRLTKKUTUIMX-UHFFFAOYSA-N
Compound name
9-[(4-methylphenyl)methylidene]fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

268.1252 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.132476 163.4
[M+Na]+ 291.114418 172.9
[M-H]- 267.117924 172.2
[M+NH4]+ 286.159023 183.8
[M+K]+ 307.088358 165.3
[M+H-H2O]+ 251.122460 155.9
[M+HCOO]- 313.123401 185.9
[M+CH3COO]- 327.139051 176.2
[M+Na-2H]- 289.099866 168.4
[M]+ 268.12465142 163.3
[M]- 268.12574858 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe