CID 6436895

Shell sd-9320

Structural Information

Molecular Formula
C10H10BrCl2O3PS
SMILES
COP(=S)(OC)O/C(=C/Cl)/C1=C(C(=CC=C1)Br)Cl
InChI
InChI=1S/C10H10BrCl2O3PS/c1-14-17(18,15-2)16-9(6-12)7-4-3-5-8(11)10(7)13/h3-6H,1-2H3/b9-6+
InChIKey
UZTAYVUMQTVBBD-RMKNXTFCSA-N
Compound name
[(E)-1-(3-bromo-2-chlorophenyl)-2-chloroethenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.86487 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.87215 161.3
[M+Na]+ 412.85409 164.5
[M+NH4]+ 407.89869 165.3
[M+K]+ 428.82803 163.1
[M-H]- 388.85759 160.2
[M+Na-2H]- 410.83954 163.3
[M]+ 389.86432 161.1
[M]- 389.86542 161.1
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.