CID 3048387

3-(2-allyl-4-bromophenoxy)-1,2-propanediol

Structural Information

Molecular Formula
C12H15BrO3
SMILES
C=CCC1=C(C=CC(=C1)Br)OCC(CO)O
InChI
InChI=1S/C12H15BrO3/c1-2-3-9-6-10(13)4-5-12(9)16-8-11(15)7-14/h2,4-6,11,14-15H,1,3,7-8H2
InChIKey
RPSRVESLGPZACW-UHFFFAOYSA-N
Compound name
3-(4-bromo-2-prop-2-enylphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.02045 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.02773 156.9
[M+Na]+ 309.00967 158.8
[M+NH4]+ 304.05427 160.1
[M+K]+ 324.98361 159.1
[M-H]- 285.01317 155.8
[M+Na-2H]- 306.99512 158.1
[M]+ 286.01990 155.5
[M]- 286.02100 155.5
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.