CID 21071526

5-(trifluoromethoxy)-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H6F3NO2
SMILES
C1=CC2=C(C=C1OC(F)(F)F)C(=CN2)C=O
InChI
InChI=1S/C10H6F3NO2/c11-10(12,13)16-7-1-2-9-8(3-7)6(5-15)4-14-9/h1-5,14H
InChIKey
ARTKLTJGFSFCIC-UHFFFAOYSA-N
Compound name
5-(trifluoromethoxy)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

229.03506 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.042336 142.2
[M+Na]+ 252.024278 153.9
[M-H]- 228.027784 141.3
[M+NH4]+ 247.068883 161.6
[M+K]+ 267.998218 149.4
[M+H-H2O]+ 212.032320 134.2
[M+HCOO]- 274.033261 161.6
[M+CH3COO]- 288.048911 184.9
[M+Na-2H]- 250.009726 148.7
[M]+ 229.03451142 141.2
[M]- 229.03560858 141.2
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