CID 154575281

Rac-(3r,4s)-4-(4-bromophenyl)oxolan-3-ol

Structural Information

Molecular Formula
C10H11BrO2
SMILES
C1[C@H]([C@@H](CO1)O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11BrO2/c11-8-3-1-7(2-4-8)9-5-13-6-10(9)12/h1-4,9-10,12H,5-6H2/t9-,10+/m0/s1
InChIKey
MJKNXHYAVBBQRK-VHSXEESVSA-N
Compound name
(3S,4R)-4-(4-bromophenyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.99425 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.00153 148.1
[M+Na]+ 264.98347 158.8
[M-H]- 240.98697 156.6
[M+NH4]+ 260.02807 169.1
[M+K]+ 280.95741 149.0
[M+H-H2O]+ 224.99151 148.7
[M+HCOO]- 286.99245 167.3
[M+CH3COO]- 301.00810 184.7
[M+Na-2H]- 262.96892 153.5
[M]+ 241.99370 164.8
[M]- 241.99480 164.8
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.