CID 386494

Nsc678864

Structural Information

Molecular Formula
C13H19O3PS
SMILES
CC1(C(OP(=S)(O1)C2=CC=C(C=C2)OC)(C)C)C
InChI
InChI=1S/C13H19O3PS/c1-12(2)13(3,4)16-17(18,15-12)11-8-6-10(14-5)7-9-11/h6-9H,1-5H3
InChIKey
GYXGXEQZKKQTRL-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-2-sulfanylidene-1,3,2lambda5-dioxaphospholane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.07925 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08653 152.8
[M+Na]+ 309.06847 163.0
[M-H]- 285.07197 160.8
[M+NH4]+ 304.11307 175.4
[M+K]+ 325.04241 163.4
[M+H-H2O]+ 269.07651 147.4
[M+HCOO]- 331.07745 175.1
[M+CH3COO]- 345.09310 198.3
[M+Na-2H]- 307.05392 155.8
[M]+ 286.07870 160.1
[M]- 286.07980 160.1
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

No patent data available for this compound.