CID 6444952

M 93

Structural Information

Molecular Formula
C8H16ClO2PS2
SMILES
CCOP(=S)(OCC)SC/C=C(/C)\Cl
InChI
InChI=1S/C8H16ClO2PS2/c1-4-10-12(13,11-5-2)14-7-6-8(3)9/h6H,4-5,7H2,1-3H3/b8-6-
InChIKey
BTBJQQNPABWCNQ-VURMDHGXSA-N
Compound name
[(Z)-3-chlorobut-2-enyl]sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0018 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.00908 153.2
[M+Na]+ 296.99102 159.8
[M-H]- 272.99452 152.5
[M+NH4]+ 292.03562 171.7
[M+K]+ 312.96496 155.1
[M+H-H2O]+ 256.99906 146.6
[M+HCOO]- 319.00000 164.9
[M+CH3COO]- 333.01565 194.9
[M+Na-2H]- 294.97647 150.1
[M]+ 274.00125 160.8
[M]- 274.00235 160.8
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.