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

370
Patents

429.91272 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.92000 184.7
[M+Na]+ 452.90194 190.2
[M-H]- 428.90544 188.4
[M+NH4]+ 447.94654 195.8
[M+K]+ 468.87588 187.4
[M+H-H2O]+ 412.90998 176.2
[M+HCOO]- 474.91092 205.2
[M+CH3COO]- 488.92657 205.1
[M+Na-2H]- 450.88739 191.5
[M]+ 429.91217 184.6
[M]- 429.91327 184.6
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