CID 2773646

5-chloro-4-fluoroindole

Structural Information

Molecular Formula
C8H5ClFN
SMILES
C1=CC(=C(C2=C1NC=C2)F)Cl
InChI
InChI=1S/C8H5ClFN/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H
InChIKey
PUXLENMUVGGZNV-UHFFFAOYSA-N
Compound name
5-chloro-4-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
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

No literature data available for this compound.

Patent stripe

patents stripe