CID 24729370

4-chloro-7-fluoro-1h-indole

Structural Information

Molecular Formula
C8H5ClFN
SMILES
C1=CC(=C2C=CNC2=C1F)Cl
InChI
InChI=1S/C8H5ClFN/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1-4,11H
InChIKey
KWILNHHBZCXENW-UHFFFAOYSA-N
Compound name
4-chloro-7-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

169.00946 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.01674 127.4
[M+Na]+ 191.99868 140.1
[M-H]- 168.00218 128.9
[M+NH4]+ 187.04328 150.2
[M+K]+ 207.97262 134.2
[M+H-H2O]+ 152.00672 121.9
[M+HCOO]- 214.00766 146.0
[M+CH3COO]- 228.02331 142.1
[M+Na-2H]- 189.98413 134.9
[M]+ 169.00891 128.3
[M]- 169.01001 128.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe