CID 4136187

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

Structural Information

Molecular Formula
C10H9BrO
SMILES
C1CC2=C(CC1=O)C(=CC=C2)Br
InChI
InChI=1S/C10H9BrO/c11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-3H,4-6H2
InChIKey
RWEVGLMABSFMKW-UHFFFAOYSA-N
Compound name
8-bromo-3,4-dihydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

326
Patents

223.98367 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.99095 139.5
[M+Na]+ 246.97289 150.9
[M-H]- 222.97639 146.6
[M+NH4]+ 242.01749 162.5
[M+K]+ 262.94683 140.0
[M+H-H2O]+ 206.98093 140.3
[M+HCOO]- 268.98187 158.8
[M+CH3COO]- 282.99752 186.2
[M+Na-2H]- 244.95834 147.8
[M]+ 223.98312 155.9
[M]- 223.98422 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