CID 155822828

2567504-42-9

Structural Information

Molecular Formula
C11H9BrO
SMILES
C1C2CC1C(=O)C3=C2C(=CC=C3)Br
InChI
InChI=1S/C11H9BrO/c12-9-3-1-2-8-10(9)6-4-7(5-6)11(8)13/h1-3,6-7H,4-5H2
InChIKey
ZTINITAYZYEBFI-UHFFFAOYSA-N
Compound name
3-bromotricyclo[7.1.1.02,7]undeca-2(7),3,5-trien-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.98367 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.99095 141.3
[M+Na]+ 258.97289 151.4
[M-H]- 234.97639 146.3
[M+NH4]+ 254.01749 161.0
[M+K]+ 274.94683 144.3
[M+H-H2O]+ 218.98093 138.1
[M+HCOO]- 280.98187 155.2
[M+CH3COO]- 294.99752 155.3
[M+Na-2H]- 256.95834 152.5
[M]+ 235.98312 169.3
[M]- 235.98422 169.3
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

No patent data available for this compound.