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 155.1
[M+Na]+ 380.89095 167.5
[M-H]- 356.89445 160.9
[M+NH4]+ 375.93555 174.5
[M+K]+ 396.86489 152.7
[M+H-H2O]+ 340.89899 154.1
[M+HCOO]- 402.89993 165.8
[M+CH3COO]- 416.91558 205.6
[M+Na-2H]- 378.87640 155.4
[M]+ 357.90118 178.9
[M]- 357.90228 178.9
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.