CID 595960

2-(bromomethyl)-2-(2-methylphenyl)-1,3-dioxolane

Structural Information

Molecular Formula
C11H13BrO2
SMILES
CC1=CC=CC=C1C2(OCCO2)CBr
InChI
InChI=1S/C11H13BrO2/c1-9-4-2-3-5-10(9)11(8-12)13-6-7-14-11/h2-5H,6-8H2,1H3
InChIKey
YDMVKSOPAXNKMW-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-(2-methylphenyl)-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

256.0099 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.017176 150.7
[M+Na]+ 278.999118 161.6
[M-H]- 255.002624 161.1
[M+NH4]+ 274.043723 172.4
[M+K]+ 294.973058 153.8
[M+H-H2O]+ 239.007160 151.9
[M+HCOO]- 301.008101 170.3
[M+CH3COO]- 315.023751 188.5
[M+Na-2H]- 276.984566 158.7
[M]+ 256.00935142 170.2
[M]- 256.01044858 170.2
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