CID 13777917

8-bromo-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-one

Structural Information

Molecular Formula
C11H11BrO2
SMILES
COC1=C(C2=C(CCCC2=O)C=C1)Br
InChI
InChI=1S/C11H11BrO2/c1-14-9-6-5-7-3-2-4-8(13)10(7)11(9)12/h5-6H,2-4H2,1H3
InChIKey
LKQNUNKQQFTEDQ-UHFFFAOYSA-N
Compound name
8-bromo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

253.99425 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.001526 146.5
[M+Na]+ 276.983468 158.2
[M-H]- 252.986974 153.7
[M+NH4]+ 272.028073 168.5
[M+K]+ 292.957408 147.5
[M+H-H2O]+ 236.991510 146.9
[M+HCOO]- 298.992451 165.5
[M+CH3COO]- 313.008101 192.0
[M+Na-2H]- 274.968916 153.6
[M]+ 253.99370142 164.9
[M]- 253.99479858 164.9
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