CID 5388588

Nsc637165

Structural Information

Molecular Formula
C15H20NO7P
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/P(=O)(OCC)OCC
InChI
InChI=1S/C15H20NO7P/c1-4-21-15(17)14(24(20,22-5-2)23-6-3)11-12-7-9-13(10-8-12)16(18)19/h7-11H,4-6H2,1-3H3/b14-11+
InChIKey
XPCUBCCQTGICBN-SDNWHVSQSA-N
Compound name
ethyl (E)-2-diethoxyphosphoryl-3-(4-nitrophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

357.09775 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.10503 180.3
[M+Na]+ 380.08697 184.5
[M-H]- 356.09047 182.5
[M+NH4]+ 375.13157 184.2
[M+K]+ 396.06091 180.0
[M+H-H2O]+ 340.09501 175.7
[M+HCOO]- 402.09595 195.9
[M+CH3COO]- 416.11160 206.2
[M+Na-2H]- 378.07242 183.0
[M]+ 357.09720 185.8
[M]- 357.09830 185.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe