CID 224308

Roxarsone (iii)

Structural Information

Molecular Formula
C6H6AsNO5
SMILES
C1=CC(=C(C=C1[As](O)O)[N+](=O)[O-])O
InChI
InChI=1S/C6H6AsNO5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9-11H
InChIKey
YAODANCEJHIXBW-UHFFFAOYSA-N
Compound name
(4-hydroxy-3-nitrophenyl)arsonous acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

246.9462 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.95348 142.3
[M+Na]+ 269.93542 153.3
[M+NH4]+ 264.98002 148.4
[M+K]+ 285.90936 152.5
[M-H]- 245.93892 142.8
[M+Na-2H]- 267.92087 145.7
[M]+ 246.94565 143.6
[M]- 246.94675 143.6
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