CID 261036

Nsc92896

Structural Information

Molecular Formula
C14H10As2O4
SMILES
C1=CC(=CC(=C1)[As]=[As]C2=CC=CC(=C2)C(=O)O)C(=O)O
InChI
InChI=1S/C14H10As2O4/c17-13(18)9-3-1-5-11(7-9)15-16-12-6-2-4-10(8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)
InChIKey
OFOFKDIEWPDSJN-UHFFFAOYSA-N
Compound name
3-(3-carboxyphenyl)arsanylidenearsanylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

391.9011 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.90838 181.2
[M+Na]+ 414.89032 187.0
[M-H]- 390.89382 184.4
[M+NH4]+ 409.93492 194.5
[M+K]+ 430.86426 182.1
[M+H-H2O]+ 374.89836 172.8
[M+HCOO]- 436.89930 200.0
[M+CH3COO]- 450.91495 196.6
[M+Na-2H]- 412.87577 181.2
[M]+ 391.90055 180.3
[M]- 391.90165 180.3
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

No patent data available for this compound.