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 147.7
[M+Na]+ 284.95330 159.1
[M-H]- 260.95680 150.6
[M+NH4]+ 279.99790 166.8
[M+K]+ 300.92724 147.7
[M+H-H2O]+ 244.96134 147.6
[M+HCOO]- 306.96228 164.0
[M+CH3COO]- 320.97793 187.8
[M+Na-2H]- 282.93875 153.1
[M]+ 261.96353 164.3
[M]- 261.96463 164.3
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.