CID 171562

57885-61-7

Structural Information

Molecular Formula
C12H10NO5P
SMILES
C1=CC=C(C=C1)P(=O)(O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H10NO5P/c14-13(15)10-6-8-11(9-7-10)18-19(16,17)12-4-2-1-3-5-12/h1-9H,(H,16,17)
InChIKey
NRGZTHQFAQCJCQ-UHFFFAOYSA-N
Compound name
(4-nitrophenoxy)-phenylphosphinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

43
Patents

279.02966 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.03694 157.2
[M+Na]+ 302.01888 163.1
[M-H]- 278.02238 161.9
[M+NH4]+ 297.06348 171.5
[M+K]+ 317.99282 156.8
[M+H-H2O]+ 262.02692 152.3
[M+HCOO]- 324.02786 186.0
[M+CH3COO]- 338.04351 188.3
[M+Na-2H]- 300.00433 164.6
[M]+ 279.02911 156.9
[M]- 279.03021 156.9
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