CID 66545123

3-bromo-1h-indole-2-carbonitrile

Structural Information

Molecular Formula
C9H5BrN2
SMILES
C1=CC=C2C(=C1)C(=C(N2)C#N)Br
InChI
InChI=1S/C9H5BrN2/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-4,12H
InChIKey
FRCQWPZGXKILDT-UHFFFAOYSA-N
Compound name
3-bromo-1H-indole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.96361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.970886 139.3
[M+Na]+ 242.952828 155.5
[M-H]- 218.956334 142.6
[M+NH4]+ 237.997433 160.1
[M+K]+ 258.926768 141.7
[M+H-H2O]+ 202.960870 132.6
[M+HCOO]- 264.961811 159.3
[M+CH3COO]- 278.977461 153.4
[M+Na-2H]- 240.938276 147.1
[M]+ 219.96306142 151.3
[M]- 219.96415858 151.3
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

patents stripe