CID 3068997

Brn 5568153

Structural Information

Molecular Formula
C11H14NO3PS2
SMILES
CCOP(=S)(OCC)OC1=CC=C(C=C1)N=C=S
InChI
InChI=1S/C11H14NO3PS2/c1-3-13-16(18,14-4-2)15-11-7-5-10(6-8-11)12-9-17/h5-8H,3-4H2,1-2H3
InChIKey
QGFKIHMVYSNACF-UHFFFAOYSA-N
Compound name
diethoxy-(4-isothiocyanatophenoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.01526 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.02254 161.5
[M+Na]+ 326.00448 168.5
[M-H]- 302.00798 164.8
[M+NH4]+ 321.04908 178.0
[M+K]+ 341.97842 164.2
[M+H-H2O]+ 286.01252 151.8
[M+HCOO]- 348.01346 182.2
[M+CH3COO]- 362.02911 204.2
[M+Na-2H]- 323.98993 161.4
[M]+ 303.01471 168.5
[M]- 303.01581 168.5
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.