CID 1817068

59082-25-6

Structural Information

Molecular Formula
C17H13FO
SMILES
C1C/C(=C\C2=CC=C(C=C2)F)/C(=O)C3=CC=CC=C31
InChI
InChI=1S/C17H13FO/c18-15-9-5-12(6-10-15)11-14-8-7-13-3-1-2-4-16(13)17(14)19/h1-6,9-11H,7-8H2/b14-11+
InChIKey
UFYHKHRBFAQTGQ-SDNWHVSQSA-N
Compound name
(2E)-2-[(4-fluorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

252.09505 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.10233 155.0
[M+Na]+ 275.08427 163.2
[M-H]- 251.08777 161.1
[M+NH4]+ 270.12887 173.1
[M+K]+ 291.05821 157.1
[M+H-H2O]+ 235.09231 146.5
[M+HCOO]- 297.09325 174.8
[M+CH3COO]- 311.10890 167.1
[M+Na-2H]- 273.06972 159.8
[M]+ 252.09450 150.9
[M]- 252.09560 150.9
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