CID 3039435

3-fluoro-4-nitrophenyl dimethyl phosphorothioate

Structural Information

Molecular Formula
C8H9FNO5PS
SMILES
COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])F
InChI
InChI=1S/C8H9FNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChIKey
OANSTVAZHRUWTO-UHFFFAOYSA-N
Compound name
(3-fluoro-4-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9923 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.99958 151.1
[M+Na]+ 303.98152 158.6
[M-H]- 279.98502 153.2
[M+NH4]+ 299.02612 167.3
[M+K]+ 319.95546 153.0
[M+H-H2O]+ 263.98956 146.3
[M+HCOO]- 325.99050 175.5
[M+CH3COO]- 340.00615 190.7
[M+Na-2H]- 301.96697 155.3
[M]+ 280.99175 154.7
[M]- 280.99285 154.7
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.