CID 3068998

84197-35-3

Structural Information

Molecular Formula
C10H13ClNO5PS
SMILES
CCOP(=S)(OCC)OC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C10H13ClNO5PS/c1-3-15-18(19,16-4-2)17-8-5-6-9(11)10(7-8)12(13)14/h5-7H,3-4H2,1-2H3
InChIKey
DRVNTXNZMYCYLS-UHFFFAOYSA-N
Compound name
(4-chloro-3-nitrophenoxy)-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.99405 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00133 162.4
[M+Na]+ 347.98327 173.9
[M+NH4]+ 343.02787 168.9
[M+K]+ 363.95721 169.7
[M-H]- 323.98677 163.5
[M+Na-2H]- 345.96872 166.4
[M]+ 324.99350 164.8
[M]- 324.99460 164.8
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.