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

7
Patents

257.98917 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.99645 148.4
[M+Na]+ 280.97839 159.2
[M-H]- 256.98189 153.6
[M+NH4]+ 276.02299 168.4
[M+K]+ 296.95233 148.9
[M+H-H2O]+ 240.98643 148.9
[M+HCOO]- 302.98737 167.0
[M+CH3COO]- 317.00302 188.7
[M+Na-2H]- 278.96384 155.2
[M]+ 257.98862 168.0
[M]- 257.98972 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