CID 14571696

Methyl 2-(4-bromophenyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC(=O)C(C1=CC=C(C=C1)Br)O
InChI
InChI=1S/C9H9BrO3/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8,11H,1H3
InChIKey
RRQIRYOPPDMWPF-UHFFFAOYSA-N
Compound name
methyl 2-(4-bromophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

243.97351 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.98079 141.4
[M+Na]+ 266.96273 143.7
[M+NH4]+ 262.00733 145.3
[M+K]+ 282.93667 145.2
[M-H]- 242.96623 140.7
[M+Na-2H]- 264.94818 144.0
[M]+ 243.97296 140.2
[M]- 243.97406 140.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe