CID 59612798

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

Structural Information

Molecular Formula
C9H9BrO3
SMILES
COC(=O)C(C1=CC=CC=C1Br)O
InChI
InChI=1S/C9H9BrO3/c1-13-9(12)8(11)6-4-2-3-5-7(6)10/h2-5,8,11H,1H3
InChIKey
YMDUHSJVKGJWQW-UHFFFAOYSA-N
Compound name
methyl 2-(2-bromophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

243.97351 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.980786 143.7
[M+Na]+ 266.962728 154.2
[M-H]- 242.966234 148.8
[M+NH4]+ 262.007333 164.0
[M+K]+ 282.936668 144.1
[M+H-H2O]+ 226.970770 143.8
[M+HCOO]- 288.971711 163.1
[M+CH3COO]- 302.987361 186.4
[M+Na-2H]- 264.948176 149.1
[M]+ 243.97296142 162.7
[M]- 243.97405858 162.7
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