CID 83106

13074-11-8

Structural Information

Molecular Formula
C11H16NO6P
SMILES
CC(C)C1=C(C=CC(=C1)OP(=O)(OC)OC)[N+](=O)[O-]
InChI
InChI=1S/C11H16NO6P/c1-8(2)10-7-9(5-6-11(10)12(13)14)18-19(15,16-3)17-4/h5-8H,1-4H3
InChIKey
FFXJBGZEAHBHCF-UHFFFAOYSA-N
Compound name
dimethyl (4-nitro-3-propan-2-ylphenyl) phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.07153 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07881 160.8
[M+Na]+ 312.06075 167.3
[M-H]- 288.06425 164.0
[M+NH4]+ 307.10535 176.4
[M+K]+ 328.03469 163.8
[M+H-H2O]+ 272.06879 157.1
[M+HCOO]- 334.06973 189.5
[M+CH3COO]- 348.08538 196.1
[M+Na-2H]- 310.04620 165.6
[M]+ 289.07098 166.2
[M]- 289.07208 166.2
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

No patent data available for this compound.