CID 462029

Ethene-1,1-diylbis(phosphonate)

Structural Information

Molecular Formula
C2H6O6P2
SMILES
C=C(P(=O)(O)O)P(=O)(O)O
InChI
InChI=1S/C2H6O6P2/c1-2(9(3,4)5)10(6,7)8/h1H2,(H2,3,4,5)(H2,6,7,8)
InChIKey
LUHPUPVJIVTJOE-UHFFFAOYSA-N
Compound name
1-phosphonoethenylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3169
Patents

187.96396 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.97124 139.7
[M+Na]+ 210.95318 146.7
[M-H]- 186.95668 132.8
[M+NH4]+ 205.99778 157.2
[M+K]+ 226.92712 146.0
[M+H-H2O]+ 170.96122 132.3
[M+HCOO]- 232.96216 166.5
[M+CH3COO]- 246.97781 170.4
[M+Na-2H]- 208.93863 141.6
[M]+ 187.96341 139.6
[M]- 187.96451 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe