CID 138991398

2309444-28-6

Structural Information

Molecular Formula
C11H8BrFO
SMILES
C1CC2=C(C=C(C=C2)Br)C(=O)C(=C1)F
InChI
InChI=1S/C11H8BrFO/c12-8-5-4-7-2-1-3-10(13)11(14)9(7)6-8/h3-6H,1-2H2
InChIKey
GIOKOBRTPFIYRU-UHFFFAOYSA-N
Compound name
3-bromo-6-fluoro-8,9-dihydrobenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.97426 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.98154 140.5
[M+Na]+ 276.96348 151.6
[M-H]- 252.96698 147.9
[M+NH4]+ 272.00808 161.4
[M+K]+ 292.93742 144.6
[M+H-H2O]+ 236.97152 141.8
[M+HCOO]- 298.97246 159.4
[M+CH3COO]- 312.98811 155.3
[M+Na-2H]- 274.94893 147.8
[M]+ 253.97371 154.2
[M]- 253.97481 154.2
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.