CID 10889572

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

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC2=C(C=CC=C2Br)C(=O)C1
InChI
InChI=1S/C10H9BrO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1,4-5H,2-3,6H2
InChIKey
DMXOUYZZHVHEQR-UHFFFAOYSA-N
Compound name
5-bromo-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

223.98367 Da
Monoisotopic Mass

3.2
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

literature stripe

Patent stripe

patents stripe