CID 298824

Nsc171159

Structural Information

Molecular Formula
C11H23O2PS
SMILES
CC(C)(C)C1COP(=S)(OC1)C(C)(C)C
InChI
InChI=1S/C11H23O2PS/c1-10(2,3)9-7-12-14(15,13-8-9)11(4,5)6/h9H,7-8H2,1-6H3
InChIKey
CEJXBXMXULUMKZ-UHFFFAOYSA-N
Compound name
2,5-ditert-butyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.11563 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12291 156.5
[M+Na]+ 273.10485 162.6
[M-H]- 249.10835 160.0
[M+NH4]+ 268.14945 174.8
[M+K]+ 289.07879 163.6
[M+H-H2O]+ 233.11289 150.3
[M+HCOO]- 295.11383 172.6
[M+CH3COO]- 309.12948 192.8
[M+Na-2H]- 271.09030 159.2
[M]+ 250.11508 159.1
[M]- 250.11618 159.1
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.