CID 3039998

Brn 1797089

Structural Information

Molecular Formula
C4H6NO6P
SMILES
C1C2(COP(=O)(O1)OC2)[N+](=O)[O-]
InChI
InChI=1S/C4H6NO6P/c6-5(7)4-1-9-12(8,10-2-4)11-3-4/h1-3H2
InChIKey
BZJFTOLYBXIQHS-UHFFFAOYSA-N
Compound name
4-nitro-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

194.99327 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.00055 127.1
[M+Na]+ 217.98249 132.6
[M-H]- 193.98599 125.5
[M+NH4]+ 213.02709 149.9
[M+K]+ 233.95643 132.9
[M+H-H2O]+ 177.99053 125.3
[M+HCOO]- 239.99147 144.8
[M+CH3COO]- 254.00712 177.9
[M+Na-2H]- 215.96794 145.3
[M]+ 194.99272 132.1
[M]- 194.99382 132.1
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