CID 198380

Formylfenitrothion

Structural Information

Molecular Formula
C9H10NO6PS
SMILES
COP(=S)(OC)OC1=CC(=C(C=C1)[N+](=O)[O-])C=O
InChI
InChI=1S/C9H10NO6PS/c1-14-17(18,15-2)16-8-3-4-9(10(12)13)7(5-8)6-11/h3-6H,1-2H3
InChIKey
FTYFFKWTWYUKLS-UHFFFAOYSA-N
Compound name
5-dimethoxyphosphinothioyloxy-2-nitrobenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.99664 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00392 155.6
[M+Na]+ 313.98586 162.6
[M-H]- 289.98936 158.9
[M+NH4]+ 309.03046 171.2
[M+K]+ 329.95980 157.2
[M+H-H2O]+ 273.99390 151.4
[M+HCOO]- 335.99484 181.1
[M+CH3COO]- 350.01049 192.0
[M+Na-2H]- 311.97131 160.2
[M]+ 290.99609 161.2
[M]- 290.99719 161.2
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.