CID 53384388

1-bromo-3-benzyloxy-2-propanol

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

C1=CC=C(C=C1)COCC(CBr)O

InChI

InChI=1S/C10H13BrO2/c11-6-10(12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2

InChIKey

VWASIEISPISOIQ-UHFFFAOYSA-N

Compound name

1-bromo-3-phenylmethoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 244.00989 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	245.01717	145.9
[M+Na]+	266.99911	148.4
[M+NH4]+	262.04371	150.5
[M+K]+	282.97305	148.2
[M-H]-	243.00261	146.0
[M+Na-2H]-	264.98456	149.1
[M]+	244.00934	145.0
[M]-	244.01044	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe