CID 202970

Brn 0526941

Structural Information

Molecular Formula
C13H15FN2
SMILES
CC1(CNCC2=C1C3=C(N2)C=CC(=C3)F)C
InChI
InChI=1S/C13H15FN2/c1-13(2)7-15-6-11-12(13)9-5-8(14)3-4-10(9)16-11/h3-5,15-16H,6-7H2,1-2H3
InChIKey
BHFVOJZAQXSXME-UHFFFAOYSA-N
Compound name
6-fluoro-4,4-dimethyl-1,2,3,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.12193 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12921 148.2
[M+Na]+ 241.11115 161.0
[M+NH4]+ 236.15575 158.2
[M+K]+ 257.08509 153.5
[M-H]- 217.11465 148.5
[M+Na-2H]- 239.09660 153.8
[M]+ 218.12138 150.2
[M]- 218.12248 150.2
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

No patent data available for this compound.