CID 74266

Tetraisopropyl methylenediphosphonate

Structural Information

Molecular Formula
C13H30O6P2
SMILES
CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
InChI
InChI=1S/C13H30O6P2/c1-10(2)16-20(14,17-11(3)4)9-21(15,18-12(5)6)19-13(7)8/h10-13H,9H2,1-8H3
InChIKey
ODTQUKVFOLFLIQ-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

889
Patents

344.15176 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.15904 184.0
[M+Na]+ 367.14098 191.0
[M-H]- 343.14448 184.3
[M+NH4]+ 362.18558 194.8
[M+K]+ 383.11492 185.2
[M+H-H2O]+ 327.14902 171.9
[M+HCOO]- 389.14996 196.4
[M+CH3COO]- 403.16561 216.5
[M+Na-2H]- 365.12643 174.5
[M]+ 344.15121 185.0
[M]- 344.15231 185.0
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