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

70
Patents

169.00946 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.016736 127.4
[M+Na]+ 191.998678 140.1
[M-H]- 168.002184 128.9
[M+NH4]+ 187.043283 150.2
[M+K]+ 207.972618 134.2
[M+H-H2O]+ 152.006720 121.9
[M+HCOO]- 214.007661 146.0
[M+CH3COO]- 228.023311 142.1
[M+Na-2H]- 189.984126 134.9
[M]+ 169.00891142 128.3
[M]- 169.01000858 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