CID 24841649

97193-35-6

Structural Information

Molecular Formula
C15H16NO4PS
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])C
InChI
InChI=1S/C15H16NO4PS/c1-3-19-21(22,14-7-5-4-6-8-14)20-15-10-9-13(16(17)18)11-12(15)2/h4-11H,3H2,1-2H3
InChIKey
NAWSJJUBGCSYCB-UHFFFAOYSA-N
Compound name
ethoxy-(2-methyl-4-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.05377 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06105 172.8
[M+Na]+ 360.04299 178.5
[M-H]- 336.04649 178.6
[M+NH4]+ 355.08759 186.3
[M+K]+ 376.01693 170.8
[M+H-H2O]+ 320.05103 167.0
[M+HCOO]- 382.05197 197.1
[M+CH3COO]- 396.06762 202.8
[M+Na-2H]- 358.02844 175.9
[M]+ 337.05322 175.7
[M]- 337.05432 175.7
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.