CID 166377

Benzonitrile, 2-chloro-4-[(2-methyl-1h-indol-3-yl)azo]-

Structural Information

Molecular Formula
C16H11ClN4
SMILES
CC1=C(C2=CC=CC=C2N1)N=NC3=CC(=C(C=C3)C#N)Cl
InChI
InChI=1S/C16H11ClN4/c1-10-16(13-4-2-3-5-15(13)19-10)21-20-12-7-6-11(9-18)14(17)8-12/h2-8,19H,1H3
InChIKey
LCELEDSEURRAOS-UHFFFAOYSA-N
Compound name
2-chloro-4-[(2-methyl-1H-indol-3-yl)diazenyl]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

294.06723 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.07451 174.3
[M+Na]+ 317.05645 187.9
[M-H]- 293.05995 180.4
[M+NH4]+ 312.10105 190.3
[M+K]+ 333.03039 178.5
[M+H-H2O]+ 277.06449 159.5
[M+HCOO]- 339.06543 193.4
[M+CH3COO]- 353.08108 185.2
[M+Na-2H]- 315.04190 178.8
[M]+ 294.06668 172.9
[M]- 294.06778 172.9
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.