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
3
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]+ 295.074506 174.3
[M+Na]+ 317.056448 187.9
[M-H]- 293.059954 180.4
[M+NH4]+ 312.101053 190.3
[M+K]+ 333.030388 178.5
[M+H-H2O]+ 277.064490 159.5
[M+HCOO]- 339.065431 193.4
[M+CH3COO]- 353.081081 185.2
[M+Na-2H]- 315.041896 178.8
[M]+ 294.06668142 172.9
[M]- 294.06777858 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.