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

33
Patents

229.03506 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04234 142.2
[M+Na]+ 252.02428 153.9
[M-H]- 228.02778 141.3
[M+NH4]+ 247.06888 161.6
[M+K]+ 267.99822 149.4
[M+H-H2O]+ 212.03232 134.2
[M+HCOO]- 274.03326 161.6
[M+CH3COO]- 288.04891 184.9
[M+Na-2H]- 250.00973 148.7
[M]+ 229.03451 141.2
[M]- 229.03561 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