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

18
Patents

262.95575 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.96303 150.0
[M+Na]+ 285.94497 164.8
[M-H]- 261.94847 152.0
[M+NH4]+ 280.98957 171.7
[M+K]+ 301.91891 151.8
[M+H-H2O]+ 245.95301 148.6
[M+HCOO]- 307.95395 166.9
[M+CH3COO]- 321.96960 188.8
[M+Na-2H]- 283.93042 157.1
[M]+ 262.95520 165.1
[M]- 262.95630 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