CID 21546

Benzamide, p-arsenoso-n-benzyl-

Structural Information

Molecular Formula
C14H12AsNO2
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)[As]=O
InChI
InChI=1S/C14H12AsNO2/c17-14(12-6-8-13(15-18)9-7-12)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKey
YROWKVAALJFIBI-UHFFFAOYSA-N
Compound name
4-arsoroso-N-benzylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0084 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.01568 164.3
[M+Na]+ 323.99762 170.3
[M-H]- 300.00112 170.4
[M+NH4]+ 319.04222 180.5
[M+K]+ 339.97156 166.2
[M+H-H2O]+ 284.00566 155.8
[M+HCOO]- 346.00660 188.6
[M+CH3COO]- 360.02225 195.8
[M+Na-2H]- 321.98307 169.1
[M]+ 301.00785 164.1
[M]- 301.00895 164.1
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.