CID 170077

1,3,2-dioxaphosphorinane, 5,5-bis(bromomethyl)-2-chloro-

Structural Information

Molecular Formula

C₅H₈Br₂ClO₂P

SMILES

C1C(COP(O1)Cl)(CBr)CBr

InChI

InChI=1S/C5H8Br2ClO2P/c6-1-5(2-7)3-9-11(8)10-4-5/h1-4H2

InChIKey

NKWWWOFFAOIWBY-UHFFFAOYSA-N

Compound name

5,5-bis(bromomethyl)-2-chloro-1,3,2-dioxaphosphinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 323.83173 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]+	324.83901	157.1
[M+Na]+	346.82095	151.8
[M+NH4]+	341.86555	159.9
[M+K]+	362.79489	157.0
[M-H]-	322.82445	158.8
[M+Na-2H]-	344.80640	157.5
[M]+	323.83118	156.0
[M]-	323.83228	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe