CID 62212703

Methyl 2-(3-bromophenyl)-2-hydroxypropanoate

Structural Information

Molecular Formula
C10H11BrO3
SMILES
CC(C1=CC(=CC=C1)Br)(C(=O)OC)O
InChI
InChI=1S/C10H11BrO3/c1-10(13,9(12)14-2)7-4-3-5-8(11)6-7/h3-6,13H,1-2H3
InChIKey
BFSGTXGMPFIOLW-UHFFFAOYSA-N
Compound name
methyl 2-(3-bromophenyl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

257.98917 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.996446 148.4
[M+Na]+ 280.978388 159.2
[M-H]- 256.981894 153.6
[M+NH4]+ 276.022993 168.4
[M+K]+ 296.952328 148.9
[M+H-H2O]+ 240.986430 148.9
[M+HCOO]- 302.987371 167.0
[M+CH3COO]- 317.003021 188.7
[M+Na-2H]- 278.963836 155.2
[M]+ 257.98862142 168.0
[M]- 257.98971858 168.0
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