CID 73011356

4-bromo-2-(trifluoromethyl)phenylacetic acid

Structural Information

Molecular Formula
C9H6BrF3O2
SMILES
C1=CC(=C(C=C1Br)C(F)(F)F)CC(=O)O
InChI
InChI=1S/C9H6BrF3O2/c10-6-2-1-5(3-8(14)15)7(4-6)9(11,12)13/h1-2,4H,3H2,(H,14,15)
InChIKey
SSJXXBLDSUVCST-UHFFFAOYSA-N
Compound name
2-[4-bromo-2-(trifluoromethyl)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

281.95032 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.95760 160.3
[M+Na]+ 304.93954 160.9
[M+NH4]+ 299.98414 162.2
[M+K]+ 320.91348 161.5
[M-H]- 280.94304 155.7
[M+Na-2H]- 302.92499 160.3
[M]+ 281.94977 157.7
[M]- 281.95087 157.7
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

patents stripe