CID 62691201

1-[4-bromo-2-(trifluoromethyl)phenyl]-2-methylpropan-1-one

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]+ 294.99400 157.7
[M+Na]+ 316.97594 169.5
[M-H]- 292.97944 160.6
[M+NH4]+ 312.02054 177.1
[M+K]+ 332.94988 157.9
[M+H-H2O]+ 276.98398 155.7
[M+HCOO]- 338.98492 173.0
[M+CH3COO]- 353.00057 199.8
[M+Na-2H]- 314.96139 160.5
[M]+ 293.98617 172.9
[M]- 293.98727 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.