CID 130052204

3-bromo-6-chloro-1h-indole-7-carbonitrile

Structural Information

Molecular Formula
C9H4BrClN2
SMILES
C1=CC(=C(C2=C1C(=CN2)Br)C#N)Cl
InChI
InChI=1S/C9H4BrClN2/c10-7-4-13-9-5(7)1-2-8(11)6(9)3-12/h1-2,4,13H
InChIKey
NBQBPRBCMGTMIB-UHFFFAOYSA-N
Compound name
3-bromo-6-chloro-1H-indole-7-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.92464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.93192 145.3
[M+Na]+ 276.91386 163.2
[M-H]- 252.91736 148.8
[M+NH4]+ 271.95846 166.0
[M+K]+ 292.88780 147.6
[M+H-H2O]+ 236.92190 139.4
[M+HCOO]- 298.92284 161.4
[M+CH3COO]- 312.93849 159.4
[M+Na-2H]- 274.89931 152.1
[M]+ 253.92409 159.2
[M]- 253.92519 159.2
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.