CID 6436894

1217-96-5

Structural Information

Molecular Formula
C10H10Br2ClO3PS
SMILES
COP(=S)(OC)O/C(=C/Cl)/C1=C(C=C(C=C1)Br)Br
InChI
InChI=1S/C10H10Br2ClO3PS/c1-14-17(18,15-2)16-10(6-13)8-4-3-7(11)5-9(8)12/h3-6H,1-2H3/b10-6+
InChIKey
LZRJENBJTBVXQR-UXBLZVDNSA-N
Compound name
[(E)-2-chloro-1-(2,4-dibromophenyl)ethenoxy]-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.81436 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.82164 165.5
[M+Na]+ 456.80358 178.0
[M-H]- 432.80708 172.1
[M+NH4]+ 451.84818 182.5
[M+K]+ 472.77752 160.0
[M+H-H2O]+ 416.81162 172.2
[M+HCOO]- 478.81256 176.9
[M+CH3COO]- 492.82821 218.3
[M+Na-2H]- 454.78903 167.3
[M]+ 433.81381 205.1
[M]- 433.81491 205.1
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.