CID 113925

3-(2-bromophenoxy)propane-1,2-diol

Structural Information

Molecular Formula
C9H11BrO3
SMILES
C1=CC=C(C(=C1)OCC(CO)O)Br
InChI
InChI=1S/C9H11BrO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,11-12H,5-6H2
InChIKey
LDMOQBBDWPPTNL-UHFFFAOYSA-N
Compound name
3-(2-bromophenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

245.98917 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.99645 145.6
[M+Na]+ 268.97839 155.5
[M-H]- 244.98189 149.2
[M+NH4]+ 264.02299 165.2
[M+K]+ 284.95233 144.7
[M+H-H2O]+ 228.98643 145.7
[M+HCOO]- 290.98737 164.3
[M+CH3COO]- 305.00302 184.6
[M+Na-2H]- 266.96384 151.6
[M]+ 245.98862 164.2
[M]- 245.98972 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe