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

13
Patents

268.1252 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13248 163.4
[M+Na]+ 291.11442 172.9
[M-H]- 267.11792 172.2
[M+NH4]+ 286.15902 183.8
[M+K]+ 307.08836 165.3
[M+H-H2O]+ 251.12246 155.9
[M+HCOO]- 313.12340 185.9
[M+CH3COO]- 327.13905 176.2
[M+Na-2H]- 289.09987 168.4
[M]+ 268.12465 163.3
[M]- 268.12575 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