CID 3046038

2,6,7-trioxa-1-phosphabicyclo(2.2.2)octane, 4-(bromomethyl)-, 1-oxide

Structural Information

Molecular Formula
C5H8BrO4P
SMILES
C1C2(COP(=O)(O1)OC2)CBr
InChI
InChI=1S/C5H8BrO4P/c6-1-5-2-8-11(7,9-3-5)10-4-5/h1-4H2
InChIKey
NSXCTTINSWIHRH-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.93436 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.94164 147.8
[M+Na]+ 264.92358 157.4
[M-H]- 240.92708 148.8
[M+NH4]+ 259.96818 172.9
[M+K]+ 280.89752 152.6
[M+H-H2O]+ 224.93162 147.2
[M+HCOO]- 286.93256 161.8
[M+CH3COO]- 300.94821 189.0
[M+Na-2H]- 262.90903 161.7
[M]+ 241.93381 171.5
[M]- 241.93491 171.5
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.