CID 75175972

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

Structural Information

Molecular Formula
C9H4BrClF3N
SMILES
C1=C2C(=CC(=C1Br)C(F)(F)F)NC=C2Cl
InChI
InChI=1S/C9H4BrClF3N/c10-6-1-4-7(11)3-15-8(4)2-5(6)9(12,13)14/h1-3,15H
InChIKey
SWTSRWZDZNHRAZ-UHFFFAOYSA-N
Compound name
5-bromo-3-chloro-6-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.91678 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.92406 154.3
[M+Na]+ 319.90600 171.0
[M-H]- 295.90950 156.5
[M+NH4]+ 314.95060 175.9
[M+K]+ 335.87994 156.0
[M+H-H2O]+ 279.91404 153.5
[M+HCOO]- 341.91498 166.8
[M+CH3COO]- 355.93063 193.4
[M+Na-2H]- 317.89145 160.5
[M]+ 296.91623 171.6
[M]- 296.91733 171.6
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.