CID 112634

3-(allyloxy)-2-bromopropyl dihydrogen phosphate

Structural Information

Molecular Formula
C6H12BrO5P
SMILES
C=CCOCC(COP(=O)(O)O)Br
InChI
InChI=1S/C6H12BrO5P/c1-2-3-11-4-6(7)5-12-13(8,9)10/h2,6H,1,3-5H2,(H2,8,9,10)
InChIKey
MHKZSDZGFSXPFG-UHFFFAOYSA-N
Compound name
(2-bromo-3-prop-2-enoxypropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

273.96057 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.96785 152.9
[M+Na]+ 296.94979 151.0
[M+NH4]+ 291.99439 153.9
[M+K]+ 312.92373 154.4
[M-H]- 272.95329 147.3
[M+Na-2H]- 294.93524 150.1
[M]+ 273.96002 149.3
[M]- 273.96112 149.3
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

patents stripe