CID 101120

2-bromo-1-tetralone

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC2=CC=CC=C2C(=O)C1Br
InChI
InChI=1S/C10H9BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9H,5-6H2
InChIKey
AYNCWMIFKFADCZ-UHFFFAOYSA-N
Compound name
2-bromo-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

460
Patents

223.98367 Da
Monoisotopic Mass

2.9
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