CID 201362

Phosnichlor

Structural Information

Molecular Formula
C8H9ClNO5PS
SMILES
COP(=S)(OC)OC1=CC(=C(C=C1)Cl)[N+](=O)[O-]
InChI
InChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-7(9)8(5-6)10(11)12/h3-5H,1-2H3
InChIKey
UFNIXJPHHIPRFX-UHFFFAOYSA-N
Compound name
(4-chloro-3-nitrophenoxy)-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3478
Patents

296.96277 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.97005 153.7
[M+Na]+ 319.95199 161.6
[M-H]- 295.95549 157.3
[M+NH4]+ 314.99659 170.3
[M+K]+ 335.92593 155.0
[M+H-H2O]+ 279.96003 151.2
[M+HCOO]- 341.96097 174.7
[M+CH3COO]- 355.97662 191.7
[M+Na-2H]- 317.93744 158.1
[M]+ 296.96222 160.4
[M]- 296.96332 160.4
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

patents stripe