CID 198219

40618-52-8

Structural Information

Molecular Formula
C7H17O2PS
SMILES
CCC(C)OP(=S)(CC)OC
InChI
InChI=1S/C7H17O2PS/c1-5-7(3)9-10(11,6-2)8-4/h7H,5-6H2,1-4H3
InChIKey
OVHXSGQXSCKHTD-UHFFFAOYSA-N
Compound name
butan-2-yloxy-ethyl-methoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0687 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.07598 143.9
[M+Na]+ 219.05792 150.5
[M-H]- 195.06142 143.2
[M+NH4]+ 214.10252 164.6
[M+K]+ 235.03186 149.9
[M+H-H2O]+ 179.06596 136.7
[M+HCOO]- 241.06690 165.6
[M+CH3COO]- 255.08255 185.3
[M+Na-2H]- 217.04337 143.1
[M]+ 196.06815 150.1
[M]- 196.06925 150.1
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.