CID 75268

Phosphoric acid, dibutyl p-nitrophenyl ester

Structural Information

Molecular Formula
C14H22NO6P
SMILES
CCCCOP(=O)(OCCCC)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C14H22NO6P/c1-3-5-11-19-22(18,20-12-6-4-2)21-14-9-7-13(8-10-14)15(16)17/h7-10H,3-6,11-12H2,1-2H3
InChIKey
CKVWBMJDISUJJM-UHFFFAOYSA-N
Compound name
dibutyl (4-nitrophenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

331.11847 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.12575 177.5
[M+Na]+ 354.10769 182.0
[M-H]- 330.11119 179.6
[M+NH4]+ 349.15229 191.1
[M+K]+ 370.08163 177.2
[M+H-H2O]+ 314.11573 172.7
[M+HCOO]- 376.11667 206.1
[M+CH3COO]- 390.13232 203.3
[M+Na-2H]- 352.09314 182.3
[M]+ 331.11792 184.1
[M]- 331.11902 184.1
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