CID 84812531

2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid

Structural Information

Molecular Formula
C9H6BrF3O2
SMILES
C1=CC=C(C(=C1)C(C(=O)O)C(F)(F)F)Br
InChI
InChI=1S/C9H6BrF3O2/c10-6-4-2-1-3-5(6)7(8(14)15)9(11,12)13/h1-4,7H,(H,14,15)
InChIKey
GMJCLHHDTKZFFB-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-3,3,3-trifluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.95032 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.95760 158.8
[M+Na]+ 304.93954 158.9
[M+NH4]+ 299.98414 160.6
[M+K]+ 320.91348 160.0
[M-H]- 280.94304 154.0
[M+Na-2H]- 302.92499 158.8
[M]+ 281.94977 156.0
[M]- 281.95087 156.0
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.