CID 5376779

57558-64-2

Structural Information

Molecular Formula
C17H14O
SMILES
C1C/C(=C\C2=CC=CC=C2)/C(=O)C3=CC=CC=C31
InChI
InChI=1S/C17H14O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h1-9,12H,10-11H2/b15-12+
InChIKey
JNRAEZULKWNOQO-NTCAYCPXSA-N
Compound name
(2E)-2-benzylidene-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

66
Patents

234.10446 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11174 151.7
[M+Na]+ 257.09368 159.0
[M-H]- 233.09718 158.9
[M+NH4]+ 252.13828 170.3
[M+K]+ 273.06762 153.3
[M+H-H2O]+ 217.10172 144.1
[M+HCOO]- 279.10266 172.7
[M+CH3COO]- 293.11831 164.1
[M+Na-2H]- 255.07913 157.9
[M]+ 234.10391 148.3
[M]- 234.10501 148.3
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