CID 311906

2-bromo-3,4-dihydro-7-methoxy-1(2h)-naphthalenone

Structural Information

Molecular Formula
C11H11BrO2
SMILES
COC1=CC2=C(CCC(C2=O)Br)C=C1
InChI
InChI=1S/C11H11BrO2/c1-14-8-4-2-7-3-5-10(12)11(13)9(7)6-8/h2,4,6,10H,3,5H2,1H3
InChIKey
WHEBCCJXJLNMGZ-UHFFFAOYSA-N
Compound name
2-bromo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

253.99425 Da
Monoisotopic Mass

2.9
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