CID 90503

24441-57-4

Structural Information

Molecular Formula
C10H13BrClOPS2
SMILES
CC(C)OP(=S)(CCl)SC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H13BrClOPS2/c1-8(2)13-14(15,7-12)16-10-5-3-9(11)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey
CGTRGCRJUUAHGF-UHFFFAOYSA-N
Compound name
(4-bromophenyl)sulfanyl-(chloromethyl)-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.90173 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.90901 143.6
[M+Na]+ 380.89095 146.3
[M+NH4]+ 375.93555 149.1
[M+K]+ 396.86489 143.9
[M-H]- 356.89445 144.0
[M+Na-2H]- 378.87640 146.9
[M]+ 357.90118 144.1
[M]- 357.90228 144.1
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.