CID 338063

82201-27-2

Structural Information

Molecular Formula
C16H13AsClN3O
SMILES
CC1=NN([As]2C1C(=NO2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C16H13AsClN3O/c1-11-15-16(12-7-9-13(18)10-8-12)20-22-17(15)21(19-11)14-5-3-2-4-6-14/h2-10,15H,1H3
InChIKey
FPARZLKSZNGDAR-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-4-methyl-6-phenyl-3aH-diazarsolo[4,3-d][1,2,5]oxazarsole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.9963 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.00358 183.1
[M+Na]+ 395.98552 193.8
[M-H]- 371.98902 190.6
[M+NH4]+ 391.03012 197.1
[M+K]+ 411.95946 187.8
[M+H-H2O]+ 355.99356 172.9
[M+HCOO]- 417.99450 197.4
[M+CH3COO]- 432.01015 194.0
[M+Na-2H]- 393.97097 183.0
[M]+ 372.99575 186.5
[M]- 372.99685 186.5
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

No patent data available for this compound.