CID 130067096

1824619-66-0

Structural Information

Molecular Formula
C10H6BrF3O
SMILES
C1C(C(=O)C2=C1C=C(C=C2)Br)C(F)(F)F
InChI
InChI=1S/C10H6BrF3O/c11-6-1-2-7-5(3-6)4-8(9(7)15)10(12,13)14/h1-3,8H,4H2
InChIKey
RDJUDLHXHJQZNR-UHFFFAOYSA-N
Compound name
5-bromo-2-(trifluoromethyl)-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.9554 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.96268 155.7
[M+Na]+ 300.94462 169.7
[M-H]- 276.94812 159.9
[M+NH4]+ 295.98922 178.7
[M+K]+ 316.91856 157.6
[M+H-H2O]+ 260.95266 154.8
[M+HCOO]- 322.95360 172.5
[M+CH3COO]- 336.96925 194.3
[M+Na-2H]- 298.93007 160.3
[M]+ 277.95485 170.5
[M]- 277.95595 170.5
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.