CID 70829137

4-bromo-5-fluoro-1h-indole

Structural Information

Molecular Formula
C8H5BrFN
SMILES
C1=CC(=C(C2=C1NC=C2)Br)F
InChI
InChI=1S/C8H5BrFN/c9-8-5-3-4-11-7(5)2-1-6(8)10/h1-4,11H
InChIKey
CIRXFJXMJOVFMR-UHFFFAOYSA-N
Compound name
4-bromo-5-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

212.95894 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.96622 140.0
[M+Na]+ 235.94816 144.2
[M+NH4]+ 230.99276 145.3
[M+K]+ 251.92210 144.4
[M-H]- 211.95166 139.4
[M+Na-2H]- 233.93361 143.2
[M]+ 212.95839 139.2
[M]- 212.95949 139.2
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