CID 23749

P-azobenzenearsonate

Structural Information

Molecular Formula
C12H12As2N2O6
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O
InChI
InChI=1S/C12H12As2N2O6/c17-13(18,19)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(20,21)22/h1-8H,(H2,17,18,19)(H2,20,21,22)
InChIKey
ITRMROGJSNWFKO-UHFFFAOYSA-N
Compound name
[4-[(4-arsonophenyl)diazenyl]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

389
References

302
Patents

429.91272 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.92000 182.6
[M+Na]+ 452.90194 191.4
[M+NH4]+ 447.94654 186.1
[M+K]+ 468.87588 188.3
[M-H]- 428.90544 182.9
[M+Na-2H]- 450.88739 187.5
[M]+ 429.91217 183.5
[M]- 429.91327 183.5
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