CID 205446

17963-68-7

Structural Information

Molecular Formula
C15H13ClNO2PS
SMILES
CCOP(=S)(C1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H13ClNO2PS/c1-2-18-20(21,15-9-5-13(16)6-10-15)19-14-7-3-12(11-17)4-8-14/h3-10H,2H2,1H3
InChIKey
GCUAAPLYOJTVGX-UHFFFAOYSA-N
Compound name
4-[(4-chlorophenyl)-ethoxyphosphinothioyl]oxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0093 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.01658 173.8
[M+Na]+ 359.99852 185.3
[M-H]- 336.00202 179.4
[M+NH4]+ 355.04312 188.3
[M+K]+ 375.97246 178.5
[M+H-H2O]+ 320.00656 159.3
[M+HCOO]- 382.00750 189.6
[M+CH3COO]- 396.02315 215.9
[M+Na-2H]- 357.98397 173.9
[M]+ 337.00875 175.1
[M]- 337.00985 175.1
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.