CID 27552

15918-85-1

Structural Information

Molecular Formula
C12H13FN2
SMILES
C1CNCCC2=C1C3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C12H13FN2/c13-8-1-2-11-10(7-8)9-3-5-14-6-4-12(9)15-11/h1-2,7,14-15H,3-6H2
InChIKey
PAOLJJUVRCDQAE-UHFFFAOYSA-N
Compound name
9-fluoro-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.10628 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11356 138.4
[M+Na]+ 227.09550 148.7
[M+NH4]+ 222.14010 146.2
[M+K]+ 243.06944 145.2
[M-H]- 203.09900 138.5
[M+Na-2H]- 225.08095 143.2
[M]+ 204.10573 139.8
[M]- 204.10683 139.8
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.