CID 17989050

5-(trifluoromethoxy)-1h-indole

Structural Information

Molecular Formula
C9H6F3NO
SMILES
C1=CC2=C(C=CN2)C=C1OC(F)(F)F
InChI
InChI=1S/C9H6F3NO/c10-9(11,12)14-7-1-2-8-6(5-7)3-4-13-8/h1-5,13H
InChIKey
XVYXWSODSCHHHB-UHFFFAOYSA-N
Compound name
5-(trifluoromethoxy)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

201.04015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.047426 135.4
[M+Na]+ 224.029368 146.5
[M-H]- 200.032874 134.3
[M+NH4]+ 219.073973 155.8
[M+K]+ 240.003308 142.3
[M+H-H2O]+ 184.037410 127.4
[M+HCOO]- 246.038351 154.8
[M+CH3COO]- 260.054001 179.6
[M+Na-2H]- 222.014816 143.1
[M]+ 201.03960142 132.9
[M]- 201.04069858 132.9
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

patents stripe