CID 115855

5h-dibenzarsenole, 5-cyano-

Structural Information

Molecular Formula
C13H8AsN
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3[As]2C#N
InChI
InChI=1S/C13H8AsN/c15-9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8H
InChIKey
PWEBTIBAMLCDLV-UHFFFAOYSA-N
Compound name
benzo[b]arsindole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.98727 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.99455 156.4
[M+Na]+ 275.97649 169.0
[M-H]- 251.97999 160.7
[M+NH4]+ 271.02109 177.2
[M+K]+ 291.95043 160.0
[M+H-H2O]+ 235.98453 143.7
[M+HCOO]- 297.98547 175.6
[M+CH3COO]- 312.00112 168.2
[M+Na-2H]- 273.96194 161.9
[M]+ 252.98672 151.8
[M]- 252.98782 151.8
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.