CID 79916

Tetraisopropyl pyrophosphate

Structural Information

Molecular Formula
C12H28O7P2
SMILES
CC(C)OP(=O)(OC(C)C)OP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C12H28O7P2/c1-9(2)15-20(13,16-10(3)4)19-21(14,17-11(5)6)18-12(7)8/h9-12H,1-8H3
InChIKey
IKRASFDEAZBNOJ-UHFFFAOYSA-N
Compound name
di(propan-2-yloxy)phosphoryl dipropan-2-yl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

346.131 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13828 184.5
[M+Na]+ 369.12022 191.1
[M-H]- 345.12372 185.7
[M+NH4]+ 364.16482 196.0
[M+K]+ 385.09416 184.8
[M+H-H2O]+ 329.12826 172.5
[M+HCOO]- 391.12920 197.2
[M+CH3COO]- 405.14485 215.6
[M+Na-2H]- 367.10567 174.8
[M]+ 346.13045 185.8
[M]- 346.13155 185.8
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