CID 6433741

Cis-thionophosdrin

Structural Information

Molecular Formula
C7H13O5PS
SMILES
C/C(=C/C(=O)OC)/SP(=O)(OC)OC
InChI
InChI=1S/C7H13O5PS/c1-6(5-7(8)10-2)14-13(9,11-3)12-4/h5H,1-4H3/b6-5-
InChIKey
FRBSTRMGLJPLFC-WAYWQWQTSA-N
Compound name
methyl (Z)-3-dimethoxyphosphorylsulfanylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.02213 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02941 149.2
[M+Na]+ 263.01135 155.8
[M-H]- 239.01485 148.6
[M+NH4]+ 258.05595 167.8
[M+K]+ 278.98529 156.0
[M+H-H2O]+ 223.01939 141.8
[M+HCOO]- 285.02033 171.1
[M+CH3COO]- 299.03598 188.7
[M+Na-2H]- 260.99680 148.4
[M]+ 240.02158 157.6
[M]- 240.02268 157.6
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.