CID 58949

2-indoleethanol, alpha,alpha-bis(trifluoromethyl)-

Structural Information

Molecular Formula
C12H9F6NO
SMILES
C1=CC=C2C(=C1)C=C(N2)CC(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C12H9F6NO/c13-11(14,15)10(20,12(16,17)18)6-8-5-7-3-1-2-4-9(7)19-8/h1-5,19-20H,6H2
InChIKey
XMPIVCAMRJDDEH-UHFFFAOYSA-N
Compound name
1,1,1,3,3,3-hexafluoro-2-(1H-indol-2-ylmethyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.05884 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06612 159.3
[M+Na]+ 320.04806 169.5
[M-H]- 296.05156 153.0
[M+NH4]+ 315.09266 174.9
[M+K]+ 336.02200 163.5
[M+H-H2O]+ 280.05610 149.5
[M+HCOO]- 342.05704 169.6
[M+CH3COO]- 356.07269 195.1
[M+Na-2H]- 318.03351 165.0
[M]+ 297.05829 151.0
[M]- 297.05939 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.