CID 10893487

Bis(propan-2-yl) [(4-methylbenzenesulfonyl)oxy]methanephosphonate

Structural Information

Molecular Formula
C14H23O6PS
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCP(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C14H23O6PS/c1-11(2)19-21(15,20-12(3)4)10-18-22(16,17)14-8-6-13(5)7-9-14/h6-9,11-12H,10H2,1-5H3
InChIKey
ZAAQMNVHSKISRP-UHFFFAOYSA-N
Compound name
di(propan-2-yloxy)phosphorylmethyl 4-methylbenzenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

350.0953 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.10258 176.5
[M+Na]+ 373.08452 181.9
[M-H]- 349.08802 178.7
[M+NH4]+ 368.12912 190.4
[M+K]+ 389.05846 181.4
[M+H-H2O]+ 333.09256 167.6
[M+HCOO]- 395.09350 196.4
[M+CH3COO]- 409.10915 210.3
[M+Na-2H]- 371.06997 176.0
[M]+ 350.09475 186.0
[M]- 350.09585 186.0
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