CID 6307541

2-(5-bromo-2-methoxybenzylidene)-1-tetralone

Structural Information

Molecular Formula
C18H15BrO2
SMILES
COC1=C(C=C(C=C1)Br)/C=C/2\CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C18H15BrO2/c1-21-17-9-8-15(19)11-14(17)10-13-7-6-12-4-2-3-5-16(12)18(13)20/h2-5,8-11H,6-7H2,1H3/b13-10+
InChIKey
GDAFFAZVTDFCJZ-JLHYYAGUSA-N
Compound name
(2E)-2-[(5-bromo-2-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.02554 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.03282 172.2
[M+Na]+ 365.01476 183.0
[M-H]- 341.01826 181.9
[M+NH4]+ 360.05936 190.5
[M+K]+ 380.98870 170.4
[M+H-H2O]+ 325.02280 171.0
[M+HCOO]- 387.02374 190.3
[M+CH3COO]- 401.03939 207.5
[M+Na-2H]- 363.00021 176.9
[M]+ 342.02499 189.9
[M]- 342.02609 189.9
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

No patent data available for this compound.