CID 91543

5412-25-9

Structural Information

Molecular Formula

C₆H₁₁Br₄O₄P

SMILES

C(C(CBr)Br)OP(=O)(O)OCC(CBr)Br

InChI

InChI=1S/C6H11Br4O4P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2,(H,11,12)

InChIKey

CBPKIOGAUWKEFT-UHFFFAOYSA-N

Compound name

bis(2,3-dibromopropyl) hydrogen phosphate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 15
References: 464
Patents: 493.71286 Da
Monoisotopic Mass: 2.2
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]+	494.72014	178.0
[M+Na]+	516.70208	183.5
[M-H]-	492.70558	179.8
[M+NH4]+	511.74668	187.1
[M+K]+	532.67602	169.0
[M+H-H2O]+	476.71012	193.7
[M+HCOO]-	538.71106	183.0
[M+CH3COO]-	552.72671	237.6
[M+Na-2H]-	514.68753	176.9
[M]+	493.71231	216.6
[M]-	493.71341	216.6

Literature stripe

literature stripe

Patent stripe

patents stripe