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

389
Patents

223.98367 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 137.1
[M+Na]+ 246.97289 141.6
[M+NH4]+ 242.01749 143.5
[M+K]+ 262.94683 140.4
[M-H]- 222.97639 138.9
[M+Na-2H]- 244.95834 141.1
[M]+ 223.98312 137.1
[M]- 223.98422 137.1
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