CID 65335745

6,8-difluoro-3,3-dimethyl-2,3,4,9-tetrahydro-1h-carbazole

Structural Information

Molecular Formula
C14H15F2N
SMILES
CC1(CCC2=C(C1)C3=C(N2)C(=CC(=C3)F)F)C
InChI
InChI=1S/C14H15F2N/c1-14(2)4-3-12-10(7-14)9-5-8(15)6-11(16)13(9)17-12/h5-6,17H,3-4,7H2,1-2H3
InChIKey
BAWCYRANRYICAV-UHFFFAOYSA-N
Compound name
6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.11725 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12453 150.2
[M+Na]+ 258.10647 161.8
[M-H]- 234.10997 151.3
[M+NH4]+ 253.15107 172.8
[M+K]+ 274.08041 155.4
[M+H-H2O]+ 218.11451 142.6
[M+HCOO]- 280.11545 167.2
[M+CH3COO]- 294.13110 162.7
[M+Na-2H]- 256.09192 154.6
[M]+ 235.11670 147.1
[M]- 235.11780 147.1
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.