CID 14103462

1-decanol, 9,10-dibromo-

Structural Information

Molecular Formula

C₁₀H₂₀Br₂O

SMILES

C(CCCCO)CCCC(CBr)Br

InChI

InChI=1S/C10H20Br2O/c11-9-10(12)7-5-3-1-2-4-6-8-13/h10,13H,1-9H2

InChIKey

BJSFINRBAUPBKA-UHFFFAOYSA-N

Compound name

9,10-dibromodecan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 313.9881 Da
Monoisotopic Mass: 4.2
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]+	314.99538	154.9
[M+Na]+	336.97732	163.1
[M-H]-	312.98082	157.0
[M+NH4]+	332.02192	172.9
[M+K]+	352.95126	146.5
[M+H-H2O]+	296.98536	162.1
[M+HCOO]-	358.98630	167.9
[M+CH3COO]-	373.00195	206.0
[M+Na-2H]-	334.96277	159.0
[M]+	313.98755	189.4
[M]-	313.98865	189.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe