CID 165804910

5-chloro-7-(trifluoromethoxy)-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H5ClF3NO2
SMILES
C1=C(C=C(C2=C1C(=CN2)C=O)OC(F)(F)F)Cl
InChI
InChI=1S/C10H5ClF3NO2/c11-6-1-7-5(4-16)3-15-9(7)8(2-6)17-10(12,13)14/h1-4,15H
InChIKey
FAQQHPBHKQAMAJ-UHFFFAOYSA-N
Compound name
5-chloro-7-(trifluoromethoxy)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.9961 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.00338 147.7
[M+Na]+ 285.98532 161.0
[M-H]- 261.98882 147.0
[M+NH4]+ 281.02992 166.8
[M+K]+ 301.95926 154.7
[M+H-H2O]+ 245.99336 140.4
[M+HCOO]- 307.99430 162.5
[M+CH3COO]- 322.00995 189.8
[M+Na-2H]- 283.97077 153.1
[M]+ 262.99555 149.1
[M]- 262.99665 149.1
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.