CID 252731

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

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC2=C(C=C(C=C2)Br)C(=O)C1
InChI
InChI=1S/C10H9BrO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
InChIKey
YGVDCGFUUUJCDF-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

890
Patents

223.98367 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.990946 139.5
[M+Na]+ 246.972888 150.9
[M-H]- 222.976394 146.6
[M+NH4]+ 242.017493 162.5
[M+K]+ 262.946828 140.0
[M+H-H2O]+ 206.980930 140.3
[M+HCOO]- 268.981871 158.8
[M+CH3COO]- 282.997521 186.2
[M+Na-2H]- 244.958336 147.8
[M]+ 223.98312142 155.9
[M]- 223.98421858 155.9
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

patents stripe