CID 4342956

7-bromo-4-fluoro-1h-indole

Structural Information

Molecular Formula
C8H5BrFN
SMILES
C1=CC(=C2C(=C1F)C=CN2)Br
InChI
InChI=1S/C8H5BrFN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H
InChIKey
PRXUTIXCOBFMMM-UHFFFAOYSA-N
Compound name
7-bromo-4-fluoro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
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 135.5
[M+Na]+ 235.94816 150.4
[M-H]- 211.95166 140.1
[M+NH4]+ 230.99276 159.3
[M+K]+ 251.92210 138.1
[M+H-H2O]+ 195.95620 135.7
[M+HCOO]- 257.95714 156.5
[M+CH3COO]- 271.97279 151.7
[M+Na-2H]- 233.93361 144.2
[M]+ 212.95839 153.2
[M]- 212.95949 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe