CID 30709

Leptophos

Structural Information

Molecular Formula
C13H10BrCl2O2PS
SMILES
COP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2Cl)Br)Cl
InChI
InChI=1S/C13H10BrCl2O2PS/c1-17-19(20,9-5-3-2-4-6-9)18-13-8-11(15)10(14)7-12(13)16/h2-8H,1H3
InChIKey
CVRALZAYCYJELZ-UHFFFAOYSA-N
Compound name
(4-bromo-2,5-dichlorophenoxy)-methoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

101
References

11354
Patents

409.86996 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.877236 171.7
[M+Na]+ 432.859178 186.2
[M-H]- 408.862684 180.6
[M+NH4]+ 427.903783 189.6
[M+K]+ 448.833118 171.4
[M+H-H2O]+ 392.867220 170.8
[M+HCOO]- 454.868161 184.1
[M+CH3COO]- 468.883811 212.9
[M+Na-2H]- 430.844626 173.4
[M]+ 409.86941142 197.4
[M]- 409.87050858 197.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe