CID 90121

23485-79-2

Structural Information

Molecular Formula
C11H16ClO2PS2
SMILES
CC(C)OP(=S)(CCl)SC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H16ClO2PS2/c1-9(2)14-15(16,8-12)17-11-6-4-10(13-3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKey
KNGSGKBPFQPTDE-UHFFFAOYSA-N
Compound name
chloromethyl-(4-methoxyphenyl)sulfanyl-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0018 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.00908 159.4
[M+Na]+ 332.99102 166.8
[M-H]- 308.99452 162.1
[M+NH4]+ 328.03562 176.5
[M+K]+ 348.96496 161.7
[M+H-H2O]+ 292.99906 151.9
[M+HCOO]- 355.00000 171.9
[M+CH3COO]- 369.01565 201.8
[M+Na-2H]- 330.97647 157.1
[M]+ 310.00125 166.9
[M]- 310.00235 166.9
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.