CID 69745505

6-bromo-1h-indole-2-carbonitrile

Structural Information

Molecular Formula
C9H5BrN2
SMILES
C1=CC2=C(C=C1Br)NC(=C2)C#N
InChI
InChI=1S/C9H5BrN2/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4,12H
InChIKey
MMTZWOPSFGBVSK-UHFFFAOYSA-N
Compound name
6-bromo-1H-indole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

219.96361 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.97089 143.4
[M+Na]+ 242.95283 148.2
[M+NH4]+ 237.99743 146.1
[M+K]+ 258.92677 145.3
[M-H]- 218.95633 137.7
[M+Na-2H]- 240.93828 144.9
[M]+ 219.96306 140.7
[M]- 219.96416 140.7
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