CID 12361823

6,8-difluoro-n-methyl-2,3,4,9-tetrahydro-1h-carbazol-3-amine

Structural Information

Molecular Formula
C13H14F2N2
SMILES
CNC1CCC2=C(C1)C3=C(N2)C(=CC(=C3)F)F
InChI
InChI=1S/C13H14F2N2/c1-16-8-2-3-12-9(6-8)10-4-7(14)5-11(15)13(10)17-12/h4-5,8,16-17H,2-3,6H2,1H3
InChIKey
CAZYUGCBYNFXRX-UHFFFAOYSA-N
Compound name
6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

236.1125 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11978 148.5
[M+Na]+ 259.10172 158.6
[M-H]- 235.10522 149.2
[M+NH4]+ 254.14632 168.6
[M+K]+ 275.07566 152.3
[M+H-H2O]+ 219.10976 140.5
[M+HCOO]- 281.11070 166.9
[M+CH3COO]- 295.12635 160.5
[M+Na-2H]- 257.08717 153.1
[M]+ 236.11195 144.2
[M]- 236.11305 144.2
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