CID 483994

2-(4-chlorophenoxy)-5-phenylsulfanyl-1,3-dihydro-1,3,2$l^{5}-benzodiazaphosphole 2-oxide

Structural Information

Molecular Formula
C18H14ClN2O2PS
SMILES
C1=CC=C(C=C1)SC2=CC3=C(C=C2)NP(=O)(N3)OC4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H14ClN2O2PS/c19-13-6-8-14(9-7-13)23-24(22)20-17-11-10-16(12-18(17)21-24)25-15-4-2-1-3-5-15/h1-12H,(H2,20,21,22)
InChIKey
SRAJETLKPHCEQE-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-5-phenylsulfanyl-1,3-dihydro-1,3,2lambda5-benzodiazaphosphole 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0202 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.02748 180.3
[M+Na]+ 411.00942 189.9
[M-H]- 387.01292 185.2
[M+NH4]+ 406.05402 194.2
[M+K]+ 426.98336 181.8
[M+H-H2O]+ 371.01746 170.0
[M+HCOO]- 433.01840 194.8
[M+CH3COO]- 447.03405 190.1
[M+Na-2H]- 408.99487 179.6
[M]+ 388.01965 182.3
[M]- 388.02075 182.3
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.