CID 62689993

1251389-42-0

Structural Information

Molecular Formula
C10H8BrF3O
SMILES
CCC(=O)C1=C(C=C(C=C1)Br)C(F)(F)F
InChI
InChI=1S/C10H8BrF3O/c1-2-9(15)7-4-3-6(11)5-8(7)10(12,13)14/h3-5H,2H2,1H3
InChIKey
BLRUIZCVHXIZAJ-UHFFFAOYSA-N
Compound name
1-[4-bromo-2-(trifluoromethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.97107 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.97835 153.2
[M+Na]+ 302.96029 165.7
[M-H]- 278.96379 156.2
[M+NH4]+ 298.00489 173.2
[M+K]+ 318.93423 153.9
[M+H-H2O]+ 262.96833 151.3
[M+HCOO]- 324.96927 169.7
[M+CH3COO]- 338.98492 196.2
[M+Na-2H]- 300.94574 157.7
[M]+ 279.97052 168.7
[M]- 279.97162 168.7
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.