CID 85974

Bayer-22893

Structural Information

Molecular Formula
C10H23O3PS
SMILES
CCOP(=S)(OCC)OC(C)C(C)(C)C
InChI
InChI=1S/C10H23O3PS/c1-7-11-14(15,12-8-2)13-9(3)10(4,5)6/h9H,7-8H2,1-6H3
InChIKey
XVIZOHJLBFSEDC-UHFFFAOYSA-N
Compound name
3,3-dimethylbutan-2-yloxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11055 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.11783 161.3
[M+Na]+ 277.09977 166.9
[M-H]- 253.10327 160.3
[M+NH4]+ 272.14437 179.8
[M+K]+ 293.07371 166.5
[M+H-H2O]+ 237.10781 154.0
[M+HCOO]- 299.10875 180.8
[M+CH3COO]- 313.12440 196.0
[M+Na-2H]- 275.08522 160.5
[M]+ 254.11000 169.4
[M]- 254.11110 169.4
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

No patent data available for this compound.