CID 13441298

6-fluoro-9h-pyrido[3,4-b]indole

Structural Information

Molecular Formula
C11H7FN2
SMILES
C1=CC2=C(C=C1F)C3=C(N2)C=NC=C3
InChI
InChI=1S/C11H7FN2/c12-7-1-2-10-9(5-7)8-3-4-13-6-11(8)14-10/h1-6,14H
InChIKey
AHWZJZOSPUCFPC-UHFFFAOYSA-N
Compound name
6-fluoro-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

186.05933 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.066606 134.6
[M+Na]+ 209.048548 146.8
[M-H]- 185.052054 135.8
[M+NH4]+ 204.093153 155.5
[M+K]+ 225.022488 140.9
[M+H-H2O]+ 169.056590 127.0
[M+HCOO]- 231.057531 155.4
[M+CH3COO]- 245.073181 148.4
[M+Na-2H]- 207.033996 143.8
[M]+ 186.05878142 134.1
[M]- 186.05987858 134.1
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