CID 88775

21070-23-5

Structural Information

Molecular Formula
C15H13ClNO6P
SMILES
CP(=O)(OCC(=O)C1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H13ClNO6P/c1-24(21,23-14-8-6-13(7-9-14)17(19)20)22-10-15(18)11-2-4-12(16)5-3-11/h2-9H,10H2,1H3
InChIKey
CNYZNXDOUMMOLA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-[methyl-(4-nitrophenoxy)phosphoryl]oxyethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

369.0169 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.02418 174.4
[M+Na]+ 392.00612 187.7
[M+NH4]+ 387.05072 180.1
[M+K]+ 407.98006 185.1
[M-H]- 368.00962 177.3
[M+Na-2H]- 389.99157 181.1
[M]+ 369.01635 177.1
[M]- 369.01745 177.1
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

patents stripe