CID 24841641

Brn 2951863

Structural Information

Molecular Formula
C14H13ClNO4PS
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl
InChI
InChI=1S/C14H13ClNO4PS/c1-2-19-21(22,12-6-4-3-5-7-12)20-14-9-8-11(16(17)18)10-13(14)15/h3-10H,2H2,1H3
InChIKey
SZQJTSWENROASU-UHFFFAOYSA-N
Compound name
(2-chloro-4-nitrophenoxy)-ethoxy-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.99915 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.00643 173.2
[M+Na]+ 379.98837 179.9
[M-H]- 355.99187 179.3
[M+NH4]+ 375.03297 186.9
[M+K]+ 395.96231 171.1
[M+H-H2O]+ 339.99641 168.8
[M+HCOO]- 401.99735 193.4
[M+CH3COO]- 416.01300 203.4
[M+Na-2H]- 377.97382 176.6
[M]+ 356.99860 178.1
[M]- 356.99970 178.1
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.