CID 10987935

Diphosphonic acid, bis(1-methylethenyl)-

Structural Information

Molecular Formula
C6H12O5P2
SMILES
CC(=C)P(=O)(O)OP(=O)(C(=C)C)O
InChI
InChI=1S/C6H12O5P2/c1-5(2)12(7,8)11-13(9,10)6(3)4/h1,3H2,2,4H3,(H,7,8)(H,9,10)
InChIKey
SXOAILMFXPEWPE-UHFFFAOYSA-N
Compound name
[hydroxy(prop-1-en-2-yl)phosphoryl]oxy-prop-1-en-2-ylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

226.01599 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.02327 148.9
[M+Na]+ 249.00521 154.2
[M+NH4]+ 244.04981 151.8
[M+K]+ 264.97915 154.4
[M-H]- 225.00871 142.3
[M+Na-2H]- 246.99066 147.2
[M]+ 226.01544 147.0
[M]- 226.01654 147.0
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