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

224
Patents

201.04015 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.04743 135.4
[M+Na]+ 224.02937 146.5
[M-H]- 200.03287 134.3
[M+NH4]+ 219.07397 155.8
[M+K]+ 240.00331 142.3
[M+H-H2O]+ 184.03741 127.4
[M+HCOO]- 246.03835 154.8
[M+CH3COO]- 260.05400 179.6
[M+Na-2H]- 222.01482 143.1
[M]+ 201.03960 132.9
[M]- 201.04070 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