CID 6438121

Gc 4276

Structural Information

Molecular Formula
C14H20ClO4PS
SMILES
CCOP(=O)(OCC)O/C(=C\SCC)/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C14H20ClO4PS/c1-4-17-20(16,18-5-2)19-14(11-21-6-3)12-7-9-13(15)10-8-12/h7-11H,4-6H2,1-3H3/b14-11-
InChIKey
BZMIJSJGWSNSTE-KAMYIIQDSA-N
Compound name
[(Z)-1-(4-chlorophenyl)-2-ethylsulfanylethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05084 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05812 175.7
[M+Na]+ 373.04006 182.4
[M-H]- 349.04356 178.2
[M+NH4]+ 368.08466 191.1
[M+K]+ 389.01400 178.3
[M+H-H2O]+ 333.04810 167.7
[M+HCOO]- 395.04904 193.3
[M+CH3COO]- 409.06469 208.6
[M+Na-2H]- 371.02551 174.1
[M]+ 350.05029 186.3
[M]- 350.05139 186.3
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.