CID 62691201

1249227-49-3

Structural Information

Molecular Formula
C11H10BrF3O
SMILES
CC(C)C(=O)C1=C(C=C(C=C1)Br)C(F)(F)F
InChI
InChI=1S/C11H10BrF3O/c1-6(2)10(16)8-4-3-7(12)5-9(8)11(13,14)15/h3-6H,1-2H3
InChIKey
JVAFKDSZJZJJBK-UHFFFAOYSA-N
Compound name
1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.98672 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.993996 157.7
[M+Na]+ 316.975938 169.5
[M-H]- 292.979444 160.6
[M+NH4]+ 312.020543 177.1
[M+K]+ 332.949878 157.9
[M+H-H2O]+ 276.983980 155.7
[M+HCOO]- 338.984921 173.0
[M+CH3COO]- 353.000571 199.8
[M+Na-2H]- 314.961386 160.5
[M]+ 293.98617142 172.9
[M]- 293.98726858 172.9
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.