CID 106763320

2-(4-bromo-3-chloro-2-fluorophenyl)propanoic acid

Structural Information

Molecular Formula
C9H7BrClFO2
SMILES
CC(C1=C(C(=C(C=C1)Br)Cl)F)C(=O)O
InChI
InChI=1S/C9H7BrClFO2/c1-4(9(13)14)5-2-3-6(10)7(11)8(5)12/h2-4H,1H3,(H,13,14)
InChIKey
MIDCKBFVCVDOTP-UHFFFAOYSA-N
Compound name
2-(4-bromo-3-chloro-2-fluorophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9302 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.93748 148.6
[M+Na]+ 302.91942 151.9
[M+NH4]+ 297.96402 152.5
[M+K]+ 318.89336 152.3
[M-H]- 278.92292 147.1
[M+Na-2H]- 300.90487 150.5
[M]+ 279.92965 147.6
[M]- 279.93075 147.6
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.