CID 62914277

2-(3-bromo-4-fluorophenyl)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C9H8BrFO3
SMILES
CC(C1=CC(=C(C=C1)F)Br)(C(=O)O)O
InChI
InChI=1S/C9H8BrFO3/c1-9(14,8(12)13)5-2-3-7(11)6(10)4-5/h2-4,14H,1H3,(H,12,13)
InChIKey
WNUUXMYYDGHWIJ-UHFFFAOYSA-N
Compound name
2-(3-bromo-4-fluorophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.96408 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.97136 149.3
[M+Na]+ 284.95330 150.7
[M+NH4]+ 279.99790 152.1
[M+K]+ 300.92724 152.6
[M-H]- 260.95680 146.4
[M+Na-2H]- 282.93875 150.4
[M]+ 261.96353 147.3
[M]- 261.96463 147.3
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.