CID 75175973

5-bromo-6-(trifluoromethyl)-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C10H5BrF3NO
SMILES
C1=C2C(=CC(=C1Br)C(F)(F)F)NC=C2C=O
InChI
InChI=1S/C10H5BrF3NO/c11-8-1-6-5(4-16)3-15-9(6)2-7(8)10(12,13)14/h1-4,15H
InChIKey
FGNITOSPWGXEDS-UHFFFAOYSA-N
Compound name
5-bromo-6-(trifluoromethyl)-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.95065 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.95793 155.9
[M+Na]+ 313.93987 171.3
[M-H]- 289.94337 158.1
[M+NH4]+ 308.98447 176.7
[M+K]+ 329.91381 157.9
[M+H-H2O]+ 273.94791 154.4
[M+HCOO]- 335.94885 172.8
[M+CH3COO]- 349.96450 193.7
[M+Na-2H]- 311.92532 162.0
[M]+ 290.95010 172.3
[M]- 290.95120 172.3
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.