CID 204833

17052-13-0

Structural Information

Molecular Formula
C10H10NO4P
SMILES
C1CP(=O)(C=C1)OC2=CC=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C10H10NO4P/c12-11(13)9-5-1-2-6-10(9)15-16(14)7-3-4-8-16/h1-3,5-7H,4,8H2
InChIKey
UEWROJHGZJPSFJ-UHFFFAOYSA-N
Compound name
1-(2-nitrophenoxy)-2,3-dihydro-1lambda5-phosphole 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.03474 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.04202 147.2
[M+Na]+ 262.02396 154.1
[M-H]- 238.02746 153.4
[M+NH4]+ 257.06856 167.8
[M+K]+ 277.99790 148.7
[M+H-H2O]+ 222.03200 143.6
[M+HCOO]- 284.03294 179.0
[M+CH3COO]- 298.04859 182.3
[M+Na-2H]- 260.00941 152.9
[M]+ 239.03419 147.0
[M]- 239.03529 147.0
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

No patent data available for this compound.