CID 165986950

5-chloro-7-(trifluoromethoxy)-1h-indole

Structural Information

Molecular Formula
C9H5ClF3NO
SMILES
C1=CNC2=C(C=C(C=C21)Cl)OC(F)(F)F
InChI
InChI=1S/C9H5ClF3NO/c10-6-3-5-1-2-14-8(5)7(4-6)15-9(11,12)13/h1-4,14H
InChIKey
TXLGJNKACMYEJW-UHFFFAOYSA-N
Compound name
5-chloro-7-(trifluoromethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.00117 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.00845 141.1
[M+Na]+ 257.99039 153.8
[M-H]- 233.99389 140.0
[M+NH4]+ 253.03499 161.2
[M+K]+ 273.96433 147.7
[M+H-H2O]+ 217.99843 133.8
[M+HCOO]- 279.99937 155.8
[M+CH3COO]- 294.01502 184.5
[M+Na-2H]- 255.97584 147.6
[M]+ 235.00062 141.0
[M]- 235.00172 141.0
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.