CID 83488768

1782390-81-1

Structural Information

Molecular Formula
C9H5BrF3N
SMILES
C1=CC2=C(C=C1Br)NC(=C2)C(F)(F)F
InChI
InChI=1S/C9H5BrF3N/c10-6-2-1-5-3-8(9(11,12)13)14-7(5)4-6/h1-4,14H
InChIKey
KSBHDTNUEBRGFF-UHFFFAOYSA-N
Compound name
6-bromo-2-(trifluoromethyl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

262.95575 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.963026 150.0
[M+Na]+ 285.944968 164.8
[M-H]- 261.948474 152.0
[M+NH4]+ 280.989573 171.7
[M+K]+ 301.918908 151.8
[M+H-H2O]+ 245.953010 148.6
[M+HCOO]- 307.953951 166.9
[M+CH3COO]- 321.969601 188.8
[M+Na-2H]- 283.930416 157.1
[M]+ 262.95520142 165.1
[M]- 262.95629858 165.1
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

patents stripe