CID 2737520

8-fluoro-1h,2h,3h,4h,5h-pyrido[4,3-b]indole

Structural Information

Molecular Formula
C11H11FN2
SMILES
C1CNCC2=C1NC3=C2C=C(C=C3)F
InChI
InChI=1S/C11H11FN2/c12-7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2
InChIKey
MNWNSXZHWSTXTC-UHFFFAOYSA-N
Compound name
8-fluoro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

77
Patents

190.09062 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.09790 137.8
[M+Na]+ 213.07984 147.4
[M-H]- 189.08334 136.9
[M+NH4]+ 208.12444 157.6
[M+K]+ 229.05378 141.1
[M+H-H2O]+ 173.08788 130.3
[M+HCOO]- 235.08882 154.2
[M+CH3COO]- 249.10447 149.8
[M+Na-2H]- 211.06529 144.5
[M]+ 190.09007 132.6
[M]- 190.09117 132.6
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