CID 97811

50652-91-0

Structural Information

Molecular Formula
C11H16NO6P
SMILES
CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])O)OCC
InChI
InChI=1S/C11H16NO6P/c1-3-17-19(16,18-4-2)11(13)9-6-5-7-10(8-9)12(14)15/h5-8,11,13H,3-4H2,1-2H3
InChIKey
XQHANJBMOMOBPM-UHFFFAOYSA-N
Compound name
diethoxyphosphoryl-(3-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

11
Patents

289.07153 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07881 162.1
[M+Na]+ 312.06075 167.2
[M-H]- 288.06425 163.4
[M+NH4]+ 307.10535 176.6
[M+K]+ 328.03469 162.8
[M+H-H2O]+ 272.06879 158.3
[M+HCOO]- 334.06973 189.3
[M+CH3COO]- 348.08538 192.2
[M+Na-2H]- 310.04620 167.0
[M]+ 289.07098 165.1
[M]- 289.07208 165.1
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