CID 112634

63264-73-3

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 160.8
[M+Na]+ 296.94979 170.3
[M-H]- 272.95329 159.8
[M+NH4]+ 291.99439 179.5
[M+K]+ 312.92373 159.7
[M+H-H2O]+ 256.95783 158.7
[M+HCOO]- 318.95877 182.4
[M+CH3COO]- 332.97442 188.5
[M+Na-2H]- 294.93524 163.3
[M]+ 273.96002 182.2
[M]- 273.96112 182.2
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