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 177.3
[M+Na]+ 392.00612 183.5
[M-H]- 368.00962 183.3
[M+NH4]+ 387.05072 189.6
[M+K]+ 407.98006 176.7
[M+H-H2O]+ 352.01416 172.7
[M+HCOO]- 414.01510 201.5
[M+CH3COO]- 428.03075 206.6
[M+Na-2H]- 389.99157 182.0
[M]+ 369.01635 182.7
[M]- 369.01745 182.7
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