CID 105375

Di(butylmethylpyrophosphato) ethylene titanate

Structural Information

Molecular Formula
C5H14O7P2
SMILES
CCCCOP(=O)(OC)OP(=O)(O)O
InChI
InChI=1S/C5H14O7P2/c1-3-4-5-11-14(9,10-2)12-13(6,7)8/h3-5H2,1-2H3,(H2,6,7,8)
InChIKey
CGSRHFPITJGVIR-UHFFFAOYSA-N
Compound name
butyl methyl phosphono phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

248.02148 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.02876 154.6
[M+Na]+ 271.01070 161.1
[M-H]- 247.01420 150.0
[M+NH4]+ 266.05530 156.2
[M+K]+ 286.98464 162.1
[M+H-H2O]+ 231.01874 145.9
[M+HCOO]- 293.01968 184.6
[M+CH3COO]- 307.03533 186.7
[M+Na-2H]- 268.99615 157.9
[M]+ 248.02093 162.4
[M]- 248.02203 162.4
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