CID 139022514

2344679-37-2

Structural Information

Molecular Formula
C11H9BrF2O
SMILES
C1CC2=C(C=C(C=C2)Br)C(=O)C(C1)(F)F
InChI
InChI=1S/C11H9BrF2O/c12-8-4-3-7-2-1-5-11(13,14)10(15)9(7)6-8/h3-4,6H,1-2,5H2
InChIKey
VFPPPTRHYHNVGA-UHFFFAOYSA-N
Compound name
3-bromo-6,6-difluoro-8,9-dihydro-7H-benzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.98047 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.98775 144.0
[M+Na]+ 296.96969 155.1
[M-H]- 272.97319 150.1
[M+NH4]+ 292.01429 165.8
[M+K]+ 312.94363 147.4
[M+H-H2O]+ 256.97773 144.6
[M+HCOO]- 318.97867 160.6
[M+CH3COO]- 332.99432 195.9
[M+Na-2H]- 294.95514 150.8
[M]+ 273.97992 155.7
[M]- 273.98102 155.7
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.