CID 6445096

Cis-thiono-bomyl

Structural Information

Molecular Formula
C9H15O7PS
SMILES
COC(=O)C/C(=C/C(=O)OC)/OP(=S)(OC)OC
InChI
InChI=1S/C9H15O7PS/c1-12-8(10)5-7(6-9(11)13-2)16-17(18,14-3)15-4/h5H,6H2,1-4H3/b7-5-
InChIKey
MOWIMORCENKFPG-ALCCZGGFSA-N
Compound name
dimethyl (Z)-3-dimethoxyphosphinothioyloxypent-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.02762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.03490 161.3
[M+Na]+ 321.01684 166.6
[M-H]- 297.02034 160.2
[M+NH4]+ 316.06144 177.2
[M+K]+ 336.99078 167.4
[M+H-H2O]+ 281.02488 153.3
[M+HCOO]- 343.02582 182.2
[M+CH3COO]- 357.04147 198.1
[M+Na-2H]- 319.00229 159.3
[M]+ 298.02707 171.8
[M]- 298.02817 171.8
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.