CID 56843368

Brn 1818901

Structural Information

Molecular Formula
C8H16ClO3PS
SMILES
CCOP(=O)(OCC)SC/C=C(/C)\Cl
InChI
InChI=1S/C8H16ClO3PS/c1-4-11-13(10,12-5-2)14-7-6-8(3)9/h6H,4-5,7H2,1-3H3/b8-6-
InChIKey
DNSQSMWFJZQDAX-VURMDHGXSA-N
Compound name
(Z)-3-chloro-1-diethoxyphosphorylsulfanylbut-2-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.02463 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03191 153.4
[M+Na]+ 281.01385 160.7
[M-H]- 257.01735 153.0
[M+NH4]+ 276.05845 172.6
[M+K]+ 296.98779 157.7
[M+H-H2O]+ 241.02189 147.2
[M+HCOO]- 303.02283 171.0
[M+CH3COO]- 317.03848 192.3
[M+Na-2H]- 278.99930 152.5
[M]+ 258.02408 162.5
[M]- 258.02518 162.5
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.