CID 76211

O-(2-chloro-4-nitrophenyl) o-methyl ethylphosphonothioate

Structural Information

Molecular Formula
C9H11ClNO4PS
SMILES
CCP(=S)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H11ClNO4PS/c1-3-16(17,14-2)15-9-5-4-7(11(12)13)6-8(9)10/h4-6H,3H2,1-2H3
InChIKey
GBSHLOCYYUYGCZ-UHFFFAOYSA-N
Compound name
(2-chloro-4-nitrophenoxy)-ethyl-methoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9835 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99078 155.9
[M+Na]+ 317.97272 163.7
[M-H]- 293.97622 159.3
[M+NH4]+ 313.01732 172.7
[M+K]+ 333.94666 156.3
[M+H-H2O]+ 277.98076 153.4
[M+HCOO]- 339.98170 176.4
[M+CH3COO]- 353.99735 192.7
[M+Na-2H]- 315.95817 159.4
[M]+ 294.98295 161.6
[M]- 294.98405 161.6
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.