CID 38531

Flucindole

Structural Information

Molecular Formula
C14H16F2N2
SMILES
CN(C)C1CCC2=C(C1)C3=C(N2)C(=CC(=C3)F)F
InChI
InChI=1S/C14H16F2N2/c1-18(2)9-3-4-13-10(7-9)11-5-8(15)6-12(16)14(11)17-13/h5-6,9,17H,3-4,7H2,1-2H3
InChIKey
FXNCRITWFOVSEP-UHFFFAOYSA-N
Compound name
6,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

562
Patents

250.12816 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.135436 153.8
[M+Na]+ 273.117378 163.5
[M-H]- 249.120884 155.8
[M+NH4]+ 268.161983 174.0
[M+K]+ 289.091318 158.4
[M+H-H2O]+ 233.125420 145.4
[M+HCOO]- 295.126361 172.3
[M+CH3COO]- 309.142011 165.9
[M+Na-2H]- 271.102826 157.0
[M]+ 250.12761142 151.0
[M]- 250.12870858 151.0
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