CID 20056

Phosacetim

Structural Information

Molecular Formula
C14H13Cl2N2O2PS
SMILES
CC(=NP(=S)(OC1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C14H13Cl2N2O2PS/c1-10(17)18-21(22,19-13-6-2-11(15)3-7-13)20-14-8-4-12(16)5-9-14/h2-9H,1H3,(H2,17,18,22)
InChIKey
XIBXUAZIZXDFTG-UHFFFAOYSA-N
Compound name
N'-bis(4-chlorophenoxy)phosphinothioylethanimidamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

2
References

2768
Patents

373.98123 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.98851 176.2
[M+Na]+ 396.97045 184.3
[M-H]- 372.97395 182.7
[M+NH4]+ 392.01505 190.7
[M+K]+ 412.94439 178.1
[M+H-H2O]+ 356.97849 167.9
[M+HCOO]- 418.97943 192.4
[M+CH3COO]- 432.99508 217.3
[M+Na-2H]- 394.95590 175.8
[M]+ 373.98068 182.2
[M]- 373.98178 182.2
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.