CID 95777

7400-75-1

Structural Information

Molecular Formula
C18H13Cl4N2PS
SMILES
C1=CC=C(C=C1)P(=S)(NC2=CC(=C(C=C2)Cl)Cl)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl4N2PS/c19-15-8-6-12(10-17(15)21)23-25(26,14-4-2-1-3-5-14)24-13-7-9-16(20)18(22)11-13/h1-11H,(H2,23,24,26)
InChIKey
BSDWMHRQBSXUDL-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[(3,4-dichloroanilino)-phenylphosphinothioyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.9291 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.93638 192.2
[M+Na]+ 482.91832 201.0
[M-H]- 458.92182 198.0
[M+NH4]+ 477.96292 203.1
[M+K]+ 498.89226 192.3
[M+H-H2O]+ 442.92636 184.5
[M+HCOO]- 504.92730 196.8
[M+CH3COO]- 518.94295 230.4
[M+Na-2H]- 480.90377 190.2
[M]+ 459.92855 195.7
[M]- 459.92965 195.7
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.