CID 12169809

2-trifluoromethyl-9h-carbazole

Structural Information

Molecular Formula
C13H8F3N
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=C(C=C3)C(F)(F)F
InChI
InChI=1S/C13H8F3N/c14-13(15,16)8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H
InChIKey
HWUDQSLQFQHKSV-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)-9H-carbazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

40
Patents

235.06088 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.06816 146.8
[M+Na]+ 258.05010 158.6
[M-H]- 234.05360 146.7
[M+NH4]+ 253.09470 167.0
[M+K]+ 274.02404 151.9
[M+H-H2O]+ 218.05814 138.4
[M+HCOO]- 280.05908 164.4
[M+CH3COO]- 294.07473 159.3
[M+Na-2H]- 256.03555 154.3
[M]+ 235.06033 143.6
[M]- 235.06143 143.6
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