CID 93830

57856-21-0

Structural Information

Molecular Formula
C14H14NO4PS
SMILES
CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C14H14NO4PS/c1-2-18-20(21,12-8-4-3-5-9-12)19-14-11-7-6-10-13(14)15(16)17/h3-11H,2H2,1H3
InChIKey
QFIIQNTUZPMZGP-UHFFFAOYSA-N
Compound name
ethoxy-(2-nitrophenoxy)-phenyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

323.03812 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.04540 168.5
[M+Na]+ 346.02734 173.8
[M-H]- 322.03084 174.2
[M+NH4]+ 341.07194 182.4
[M+K]+ 362.00128 166.4
[M+H-H2O]+ 306.03538 162.7
[M+HCOO]- 368.03632 193.2
[M+CH3COO]- 382.05197 198.7
[M+Na-2H]- 344.01279 172.7
[M]+ 323.03757 170.7
[M]- 323.03867 170.7
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

patents stripe