CID 57628

2-(p-bromophenyl)-2-methyl-1,3-dioxolane-4-methanol

Structural Information

Molecular Formula
C11H13BrO3
SMILES
CC1(OCC(O1)CO)C2=CC=C(C=C2)Br
InChI
InChI=1S/C11H13BrO3/c1-11(14-7-10(6-13)15-11)8-2-4-9(12)5-3-8/h2-5,10,13H,6-7H2,1H3
InChIKey
IQLLWQIEWGCXLG-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.00482 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.01210 155.4
[M+Na]+ 294.99404 158.1
[M+NH4]+ 290.03864 161.2
[M+K]+ 310.96798 158.7
[M-H]- 270.99754 158.8
[M+Na-2H]- 292.97949 158.5
[M]+ 272.00427 155.8
[M]- 272.00537 155.8
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.