CID 200990

Ethyl chlorthion

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.99405 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.00133 163.4
[M+Na]+ 347.98327 170.5
[M-H]- 323.98677 166.6
[M+NH4]+ 343.02787 178.8
[M+K]+ 363.95721 163.4
[M+H-H2O]+ 307.99131 160.5
[M+HCOO]- 369.99225 183.7
[M+CH3COO]- 384.00790 197.7
[M+Na-2H]- 345.96872 166.9
[M]+ 324.99350 170.8
[M]- 324.99460 170.8
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.