CID 165986462

6-bromo-2,2-difluoro-2,3-dihydro-1h-inden-1-one

Structural Information

Molecular Formula
C9H5BrF2O
SMILES
C1C2=C(C=C(C=C2)Br)C(=O)C1(F)F
InChI
InChI=1S/C9H5BrF2O/c10-6-2-1-5-4-9(11,12)8(13)7(5)3-6/h1-3H,4H2
InChIKey
FQVNPWYMOSRKAK-UHFFFAOYSA-N
Compound name
6-bromo-2,2-difluoro-3H-inden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.94917 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.95645 143.3
[M+Na]+ 268.93839 158.2
[M-H]- 244.94189 149.1
[M+NH4]+ 263.98299 169.5
[M+K]+ 284.91233 146.5
[M+H-H2O]+ 228.94643 143.7
[M+HCOO]- 290.94737 163.1
[M+CH3COO]- 304.96302 188.7
[M+Na-2H]- 266.92384 149.8
[M]+ 245.94862 160.0
[M]- 245.94972 160.0
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.