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
2
Annotation Hits

0
References

43
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 150.8
[M+Na]+ 249.00521 157.4
[M-H]- 225.00871 146.4
[M+NH4]+ 244.04981 168.4
[M+K]+ 264.97915 156.8
[M+H-H2O]+ 209.01325 143.0
[M+HCOO]- 271.01419 178.5
[M+CH3COO]- 285.02984 184.8
[M+Na-2H]- 246.99066 150.7
[M]+ 226.01544 153.5
[M]- 226.01654 153.5
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

patents stripe