CID 24841651

88239-47-8

Structural Information

Molecular Formula
C15H16NO4PS
SMILES
CCCOP(=S)(C1=CC=CC=C1)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H16NO4PS/c1-2-12-19-21(22,15-6-4-3-5-7-15)20-14-10-8-13(9-11-14)16(17)18/h3-11H,2,12H2,1H3
InChIKey
TWGPYMBTSRQKFH-UHFFFAOYSA-N
Compound name
(4-nitrophenoxy)-phenyl-propoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

337.05377 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06105 173.3
[M+Na]+ 360.04299 178.2
[M-H]- 336.04649 178.8
[M+NH4]+ 355.08759 186.5
[M+K]+ 376.01693 170.5
[M+H-H2O]+ 320.05103 167.3
[M+HCOO]- 382.05197 197.6
[M+CH3COO]- 396.06762 201.7
[M+Na-2H]- 358.02844 177.0
[M]+ 337.05322 175.8
[M]- 337.05432 175.8
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