CID 22612745

6-chloro-7-fluoro-1h-indole

Structural Information

Molecular Formula
C8H5ClFN
SMILES
C1=CC(=C(C2=C1C=CN2)F)Cl
InChI
InChI=1S/C8H5ClFN/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4,11H
InChIKey
OPEAQMMQYFSXKX-UHFFFAOYSA-N
Compound name
6-chloro-7-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
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 127.1
[M+Na]+ 191.99868 141.9
[M+NH4]+ 187.04328 136.8
[M+K]+ 207.97262 135.8
[M-H]- 168.00218 128.1
[M+Na-2H]- 189.98413 134.5
[M]+ 169.00891 129.8
[M]- 169.01001 129.8
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