CID 3087536

114991-56-9

Structural Information

Molecular Formula
C15H17F3N2O2S
SMILES
C1CCCC2=C(CC1)C3=C(N2)C(=CC=C3)NS(=O)(=O)C(F)(F)F
InChI
InChI=1S/C15H17F3N2O2S/c16-15(17,18)23(21,22)20-13-9-5-7-11-10-6-3-1-2-4-8-12(10)19-14(11)13/h5,7,9,19-20H,1-4,6,8H2
InChIKey
GIVVDBZFAUUHFA-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-4-yl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09628 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10356 169.2
[M+Na]+ 369.08550 174.6
[M-H]- 345.08900 169.0
[M+NH4]+ 364.13010 176.2
[M+K]+ 385.05944 172.8
[M+H-H2O]+ 329.09354 164.5
[M+HCOO]- 391.09448 173.1
[M+CH3COO]- 405.11013 232.2
[M+Na-2H]- 367.07095 168.6
[M]+ 346.09573 167.4
[M]- 346.09683 167.4
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.