CID 38300

Dowco 275

Structural Information

Molecular Formula
C9H13FNO3PS
SMILES
CCOP(=S)(OCC)OC1=CN=C(C=C1)F
InChI
InChI=1S/C9H13FNO3PS/c1-3-12-15(16,13-4-2)14-8-5-6-9(10)11-7-8/h5-7H,3-4H2,1-2H3
InChIKey
DTWQOKPPRNFERL-UHFFFAOYSA-N
Compound name
diethoxy-(6-fluoropyridin-3-yl)oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.03378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.04106 153.9
[M+Na]+ 288.02300 162.0
[M-H]- 264.02650 153.9
[M+NH4]+ 283.06760 170.4
[M+K]+ 303.99694 159.8
[M+H-H2O]+ 248.03104 143.8
[M+HCOO]- 310.03198 175.7
[M+CH3COO]- 324.04763 194.1
[M+Na-2H]- 286.00845 154.8
[M]+ 265.03323 159.8
[M]- 265.03433 159.8
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.