CID 69778

Monsanto cp-40298

Structural Information

Molecular Formula
C11H10ClF3NO4PS
SMILES
CP(=S)(OCC(=C)Cl)OC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F
InChI
InChI=1S/C11H10ClF3NO4PS/c1-7(12)6-19-21(2,22)20-8-3-4-10(16(17)18)9(5-8)11(13,14)15/h3-5H,1,6H2,2H3
InChIKey
MXRVWSWHANYETE-UHFFFAOYSA-N
Compound name
2-chloroprop-2-enoxy-methyl-[4-nitro-3-(trifluoromethyl)phenoxy]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.9709 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.97818 168.3
[M+Na]+ 397.96012 175.7
[M-H]- 373.96362 167.6
[M+NH4]+ 393.00472 181.6
[M+K]+ 413.93406 167.0
[M+H-H2O]+ 357.96816 163.3
[M+HCOO]- 419.96910 182.8
[M+CH3COO]- 433.98475 205.9
[M+Na-2H]- 395.94557 170.4
[M]+ 374.97035 169.6
[M]- 374.97145 169.6
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.