CID 6017

58-36-6

Structural Information

Molecular Formula
C24H16As2O3
SMILES
C1=CC=C2C(=C1)OC3=CC=CC=C3[As]2O[As]4C5=CC=CC=C5OC6=CC=CC=C64
InChI
InChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
InChIKey
VCRZAKVGPJFABU-UHFFFAOYSA-N
Compound name
10-phenoxarsinin-10-yloxyphenoxarsinine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

5
References

2694
Patents

501.95312 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.96040 206.0
[M+Na]+ 524.94234 212.7
[M-H]- 500.94584 215.3
[M+NH4]+ 519.98694 216.6
[M+K]+ 540.91628 208.0
[M+H-H2O]+ 484.95038 192.8
[M+HCOO]- 546.95132 218.7
[M+CH3COO]- 560.96697 214.0
[M+Na-2H]- 522.92779 212.4
[M]+ 501.95257 206.4
[M]- 501.95367 206.4
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