CID 74388

1714-03-0

Structural Information

Molecular Formula
C10H13ClFOPS2
SMILES
CC(C)OP(=S)(CCl)SC1=CC=C(C=C1)F
InChI
InChI=1S/C10H13ClFOPS2/c1-8(2)13-14(15,7-11)16-10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3
InChIKey
ASQKPFCEZLKDDQ-UHFFFAOYSA-N
Compound name
chloromethyl-(4-fluorophenyl)sulfanyl-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.9818 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.98908 153.1
[M+Na]+ 320.97102 161.2
[M-H]- 296.97452 154.6
[M+NH4]+ 316.01562 170.8
[M+K]+ 336.94496 155.4
[M+H-H2O]+ 280.97906 145.0
[M+HCOO]- 342.98000 164.6
[M+CH3COO]- 356.99565 199.5
[M+Na-2H]- 318.95647 150.5
[M]+ 297.98125 157.9
[M]- 297.98235 157.9
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.