CID 5469394

Nsc687673

Structural Information

Molecular Formula
C18H15FO
SMILES
C1CC2=CC=CC=C2C(=O)/C(=C/C3=CC(=CC=C3)F)/C1
InChI
InChI=1S/C18H15FO/c19-16-9-3-5-13(12-16)11-15-8-4-7-14-6-1-2-10-17(14)18(15)20/h1-3,5-6,9-12H,4,7-8H2/b15-11+
InChIKey
RAZAJNVRLMAZGG-RVDMUPIBSA-N
Compound name
(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.1107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11798 157.1
[M+Na]+ 289.09992 163.5
[M-H]- 265.10342 164.2
[M+NH4]+ 284.14452 173.7
[M+K]+ 305.07386 162.0
[M+H-H2O]+ 249.10796 151.0
[M+HCOO]- 311.10890 176.2
[M+CH3COO]- 325.12455 168.5
[M+Na-2H]- 287.08537 161.1
[M]+ 266.11015 150.7
[M]- 266.11125 150.7
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

No patent data available for this compound.