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 165.4
[M+Na]+ 412.85409 179.1
[M-H]- 388.85759 171.4
[M+NH4]+ 407.89869 184.0
[M+K]+ 428.82803 164.7
[M+H-H2O]+ 372.86213 165.3
[M+HCOO]- 434.86307 176.9
[M+CH3COO]- 448.87872 208.8
[M+Na-2H]- 410.83954 166.3
[M]+ 389.86432 192.0
[M]- 389.86542 192.0
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.